SCHEMBL338777

SCHEMBL338777

O=[N+]([O-])c1ccc2c(/N=N/c3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)[O-])c2c1.[Na+]

nearest known ligand 0.84

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
THRB known ✓ P10828 1/20 0.47
CYP1A2 P05177 2/20 0.84
CYP2C9 P11712 2/20 0.84
TSHR P16473 2/20 0.84
CYP2C19 P33261 2/20 0.84
HSD17B10 Q99714 2/20 0.84
CYP3A4 P08684 1/20 0.84
CYP2D6 P10635 1/20 0.84
HPGD P15428 1/20 0.84
ALOX15 P16050 1/20 0.84
ALOX12 P18054 1/20 0.84
CSNK2A1 P68400 1/20 0.84
PRMT1 Q99873 1/20 0.68
MPL P40238 8/20 0.61
CTRC Q99895 2/20 0.61
APEX1 P27695 1/20 0.48
CTRB1 P17538 1/20 0.44
NSD2 O96028 1/20 0.42
MMP14 P50281 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL29402956 1.00 CYP1A2 (0.84) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL31707292 1.00 CYP1A2 (0.84) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL2220292 1.00 CYP1A2 (0.84) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL8727386 0.96 CYP1A2 (0.91) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL30155023 0.92 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3756189 0.92 CYP1A2 (0.98) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL1470827 0.91 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL3424518 0.91 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL18338970 0.91 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL29416328 0.91 CYP1A2 (1.00) CYP1A2CYP2C9TSHRCYP2C19HSD17B10

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

Appears in 2500 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124585-A1 METHOD FOR NANOFILTRATION OF A SOLUTE-CONTAINING COMPOSITION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-05-07 US claimed
US-20260055703-A1 BRIDGE SENSOR DESIGN FOR WATER AND OIL ANALYSIS IN FORMATION TESTING HALLIBURTON ENERGY SERVICES, INC. (US) 2026-02-26 US claimed
US-20260048382-A1 HYPER-CROSS-LINKED POLYAMIDE/POLYAMINE 3D-NETWORK FOR WATER TREATMENT KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-02-19 US claimed
US-12515178-B1 Grafted polyamide membrane for nanofiltration applications KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2026-01-06 US claimed
EP-4308919-B1 ANALYSIS SYSTEM FOR THE DETERMINATION OF IONS IN AN ION-CONTAINING LIQUID MEDIUM, AND ANALYSIS METHOD DIMETAMUS UG HAFTUNGSBESCHRAENKT (DE) 2025-12-24 EP claimed
US-12492633-B2 Bridge sensor design for water and oil analysis in formation testing HALLIBURTON ENERGY SERVICES, INC. (US) 2025-12-09 US claimed
US-20250242312-A1 MULTI-FUNCTIONAL MOLYBDENUM-IRON NANOSHEETS AND NANOCOMPOSITES THEREOF IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2025-07-31 US claimed
US-20250170531-A1 POLYAMIDE THIN FILM COMPOSITE MEMBRANES FOR NANOFILTRATION KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-05-29 US claimed
US-20250092439-A1 LYOPHILISED NUCLEIC ACID AMPLIFICATION REACTION COMPOSITION IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-20 US claimed
US-20250073645-A1 PENTA-AMINE-IMPREGNATED ULTRAFILTRATION SUPPORT MATRIX FOR RAPID FABRICATION OF A HYPER-CROSS-LINKED POLYAMIDE MEMBRANE KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2025-03-06 US claimed
CN-1042238-A QUICK DETERMINATION FOR WATER HARDNESS OF LOW PRESSURE BOILER INST OF POWER CONSTRUCTION MIN (CN) 1990-05-16 CN claimed
EP-0290750-A2 Systems for the visualization of exposure to ultraviolet radiation and for the utilization of ultraviolet radiation to effect color changes XYTRONYX, INC. (US) 1988-11-17 EP claimed
WO-1988007222-A1 SYSTEMS FOR THE VISUALIZATION OF EXPOSURE TO ULTRAVIOLET RADIATION AND FOR THE UTILIZATION OF ULTRAVIOLET RADIATION TO EFFECT COLOR CHANGES XYTRONYX, INC. (US) 1988-09-22 WO claimed
US-4383043-A Magnesium assay with calmagite or eriochrome black T reagents AMERICAN MONITOR CORPORATION (US) 1983-05-10 US claimed
US-4362645-A Temperature indicating compositions of matter AKZONA, INC. (US) 1982-12-07 US claimed
US-4345470-A All plastic disposable thermometer AKZONA INCORPORATED (US) 1982-08-24 US claimed
US-4303610-A Test kit for field analysis of plant tissue magnesium and calcium PENNZOIL COMPANY (US) 1981-12-01 US claimed
US-4299727-A Disposable reversible thermometer AKZONA INCORPORATED (US) 1981-11-10 US claimed
US-4254971-A ALKALINE EARTH WHITE PIGMENT, ENCAPSULATED ANIONIC INDICATOR ENGELHARD MINERALS & CHEMICALS CORPORATION (US) 1981-03-10 US claimed
US-4232552-A THERMOCHROMISM, DISPOSABLE THERMOMETERS AKZONA INCORPORATED (US) 1980-11-11 US claimed