SCHEMBL218141

SCHEMBL218141

O=S(=O)([O-])c1ccc(/N=N/c2ccc(Nc3ccccc3)cc2)cc1.[Na+]

nearest known ligand 0.52

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
CA12 known ✓ O43570 4/20 0.45
CA2 known ✓ P00918 4/20 0.45
PTGS1 known ✓ P23219 1/20 0.45
PTGS2 known ✓ P35354 1/20 0.45
THRB known ✓ P10828 1/20 0.44
P2RY12 known ✓ Q9H244 2/20 0.41
P2RY2 known ✓ P41231 1/20 0.41
P2RY4 known ✓ P51582 1/20 0.41
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL1916324 1.00 TDP1 (0.52) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL540370 0.89 ALDH1A1 (0.56) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL141659 0.88 CA12 (0.54) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL146551 0.88 CA12 (0.54) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL28233501 0.85 POLB (0.64) TDP1ALDH1A1HSD17B10TSHRHTT
SCHEMBL4443489 0.85 ALDH1A1 (0.56) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL460752 0.83 POLB (0.73) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL10988904 0.83 ALDH1A1 (0.52) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL460751 0.83 POLB (0.73) TDP1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL1741555 0.81 CYP1B1 (0.61) TDP1ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286607-B2 Composition for removing chemical residues and uses thereof PREVOR INTERNATIONAL (FR) 2025-04-29 US claimed
WO-2025075611-A1 ULTRASONIC INDICATOR BASED ON EMULSION FORMATION JP LABORATORIES, INC. (US) 2025-04-10 WO claimed
EP-2948256-B1 ANTISEPTIC APPLICATOR CAREFUSION 2200 INC (US) 2022-12-14 EP claimed
WO-2022189412-A1 HAIR COLORING COMPOSITION COMPRISING A (POLY)CARBODIIMIDE COMPOUND AND A NONIONIC AMINO DIRECT DYE L'OREAL (FR) 2022-09-15 WO claimed
US-20220186154-A1 COMPOSITION FOR REMOVING CHEMICAL RESIDUES AND USES THEREOF PREVOR INTERNATIONAL (FR) 2022-06-16 US claimed
US-20210256870-A1 COLOR CHANGING MICTURITION TRAINING COMPOSITION AND PROCESS FOR USE THEREOF POTTY MAGIC LLC (US) 2021-08-19 US claimed
EP-2793817-B1 BLEACHING AND COLOURING COMPOSITION FOR HAIR KAO GERMANY GMBH (DE) 2020-09-23 EP claimed
EP-2968401-B1 TINTED ANTISEPTIC SOLUTIONS HAVING IMPROVED STABILITY CAREFUSION 2200 INC (US) 2020-09-09 EP claimed
US-10478387-B2 Coating of clay micro-tubes on surfaces of hair and natural fibers LOUISIANA TECH RESEARCH CORPORATION (US) 2019-11-19 US claimed
US-20190125637-A1 Coating of Clay Micro-tubes on Surfaces of Hair and Natural Fibers LOUISIANA TECH RESEARCH CORPORATION 2019-05-02 US claimed
EP-1588688-A1 Range of cosmetic compositions for the skin, lips, hair or nails. L'OREAL (FR) 2005-10-26 EP claimed
EP-1586295-A1 Cosmetic composition for skin, lips and / or nails. L'OREAL (FR) 2005-10-19 EP claimed
EP-1586296-A1 Cosmetic composition for application to the skin, lips and/or nails. L'OREAL (FR) 2005-10-19 EP claimed
US-20050227369-A1 Rapid analysis of functional fluids THE LUBRIZOL CORPORATION, A CORPORATION OF THE STATE OF OHIO (US) 2005-10-13 US claimed
CN-1470869-A Humidity chromogenic indicator and chromatropic silica gel prepared therwith and its preparing method 李永兆 2004-01-28 CN claimed
EP-1293773-A2 Moisture indicator Macherey, Nagel GmbH & Co. Handelsgesellschaft (DE) 2003-03-19 EP claimed
CN-1081328-C Method for measuring free acid CHINESE RES INST OF ATOMIC ENE (CN) 2002-03-20 CN claimed
CN-1282793-A Reagent for testing angiotonin converzyme and its application and test method AIKEMA BIOLOG TECHNOLOGY CO LT (CN) 2001-02-07 CN claimed
CN-1195152-A Changeable colour nuclear track millipore film antiforge mark and its discriminating method UNIV QINGHUA (CN) 1998-10-07 CN claimed
CN-1164645-A Method for measuring free acid CHINESE RESEARCH INST OF ATOMI (CN) 1997-11-12 CN claimed