SCHEMBL264266

SCHEMBL264266

O=C([O-])c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O.[Na+]

nearest known ligand 0.76

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.50
THRB known ✓ P10828 1/20 0.49
CA1 known ✓ P00915 2/20 0.47
CA2 known ✓ P00918 2/20 0.47
PTGS1 known ✓ P23219 1/20 0.47
PTGS2 known ✓ P35354 1/20 0.47
ALDH1A1 P00352 7/20 0.76
TDP1 Q9NUW8 5/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MAPT P10636 4/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HTT P42858 3/20 0.54
POLB P06746 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RECQL P46063 2/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7033976 1.00 ALDH1A1 (0.76) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL7033984 0.88 TDP1 (0.97) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384122 0.87 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL925266 0.87 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL133646 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL133647 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL29359461 0.87 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
Olsalazine SCHEMBL3476110 0.86 MEN1 (0.66) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
Olsalazine SCHEMBL29454399 0.86 MEN1 (0.66) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
Olsalazine SCHEMBL29767 0.86 MEN1 (0.66) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 365 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3757168-B1 ROOM-TEMPERATURE-CURABLE ORGANOPOLYSILOXANE COMPOSITION, STRUCTURE, AND METHOD FOR ASSESSING CURED STATE OF SAID COMPOSITION SHINETSU CHEMICAL CO (JP) 2025-03-26 EP claimed
US-20250092439-A1 LYOPHILISED NUCLEIC ACID AMPLIFICATION REACTION COMPOSITION IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-20 US claimed
US-20250065568-A1 METHOD, APPARATUS, AND SYSTEM FOR SUPPORT MATERIAL REMOVAL FROM A 3D-PRINTED OBJECT ORYX ADDITIVE INC (US) 2025-02-27 US claimed
US-20250042781-A1 ECO-FRIENDLY METHOD, APPARATUS, AND SYSTEM FOR PRECIPITATION AND COLLECTION OF DISSOLVED SUPPORT MATERIAL ORYX ADDITIVE INC (US) 2025-02-06 US claimed
EP-4463564-A1 LYOPHILISED NUCLEIC ACID AMPLIFICATION REACTION COMPOSITION Imperial College Innovations Limited (GB) 2024-11-20 EP claimed
EP-4444546-A1 ECO-FRIENDLY METHOD, APPARATUS, AND SYSTEM FOR PRECIPITATION AND COLLECTION OF DISSOLVED SUPPORT MATERIAL Oryx Additive, Inc. (US) 2024-10-16 EP claimed
EP-4444531-A1 METHOD, APPARATUS, AND SYSTEM FOR SUPPORT MATERIAL REMOVAL FROM A 3D-PRINTED OBJECT Oryx Additive, Inc. (US) 2024-10-16 EP claimed
WO-2023131803-A1 LYOPHILISED NUCLEIC ACID AMPLIFICATION REACTION COMPOSITION IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-07-13 WO claimed
WO-2023108088-A1 ECO-FRIENDLY METHOD, APPARATUS, AND SYSTEM FOR PRECIPITATION AND COLLECTION OF DISSOLVED SUPPORT MATERIAL ORYX ADDITIVE, INC. (US) 2023-06-15 WO claimed
WO-2023108087-A1 METHOD, APPARATUS, AND SYSTEM FOR SUPPORT MATERIAL REMOVAL FROM A 3D-PRINTED OBJECT ORYX ADDITIVE, INC. (US) 2023-06-15 WO claimed
EP-2205497-A1 UNIVERSAL DRINKING ADAPTER FOR BEVERAGE BOTTLES TO ALLOW FOR LIQUID CONSUMPTION AND DEVICES AND KITS FOR DETERMINING SMALL MOLECULES, METAL IONS, ENDOTOXINS, AND BACTERIA FOUND IN MILK, AND METHODS OF USE THEREOF Suremilk, LLC. (US) 2010-07-14 EP claimed
US-20100114047-A1 Absorbent Articles with Impending Leakage Sensors KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-05-06 US claimed
WO-2010049829-A2 ABSORBENT ARTICLES WITH IMPENDING LEAKAGE SENSORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2010-05-06 WO claimed
WO-2009077887-A1 HYDRATION TEST DEVICES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-25 WO claimed
WO-2009077883-A1 URINE VOLUME HYDRATION TEST DEVICES KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-25 WO claimed
WO-2009077885-A2 WETNESS SENSORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-25 WO claimed
US-20090157025-A1 Wetness Sensors KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-18 US claimed
US-20090157024-A1 Hydration Test Devices KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-18 US claimed
US-20090157023-A1 Urine Volume Hydration Test Devices KIMBERLY-CLARK WORLDWIDE, INC. (US) 2009-06-18 US claimed
WO-2009033135-A1 UNIVERSAL DRINKING ADAPTER FOR BEVERAGE BOTTLES TO ALLOW FOR LIQUID CONSUMPTION AND DEVICES AND KITS FOR DETERMINING SMALL MOLECULES, METAL IONS, ENDOTOXINS, AND BACTERIA FOUND IN MILK, AND METHODS OF USE THEREOF SUREMILK, LLC. (US) 2009-03-12 WO claimed