SCHEMBL31496840

SCHEMBL31496840

Nc1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2[O-])cc1.[Na+]

nearest known ligand 0.55

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 0.49
▸ SENP2 Q9HC62 5/20 0.55
▸ SUMO2 P61956 4/20 0.55
▸ SUMO1 P63165 4/20 0.55
▸ SENP7 Q9BQF6 4/20 0.55
▸ ATIC P31939 3/20 0.55
▸ CYP1A2 P05177 2/20 0.52
▸ APP P05067 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ SNCA P37840 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SENP1 Q9P0U3 4/20 0.48
▸ ENPP2 Q13822 2/20 0.47

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
SCHEMBL2987080 0.86 CYP1A2 (0.71) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL29377176 0.85 CYP1A2 (0.69) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL2940833 0.85 CYP1A2 (0.69) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL2940832 0.80 THRB (0.56) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL4898001 0.78 SENP2 (0.71) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL3915968 0.78 SENP2 (0.71) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11442273 0.75 MEN1 (0.54) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL14546975 0.72 SENP2 (0.78) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11821604 0.72 SUMO2 (0.50) SENP2SUMO2SUMO1SENP7ATIC
SCHEMBL11821612 0.72 SUMO2 (0.50) SENP2SUMO2SUMO1SENP7ATIC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120035427-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-05-23 — — CN disclosed
CN-119968189-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-05-09 — — CN disclosed
CN-119894486-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-04-25 — — CN disclosed
CN-119855579-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-04-18 — — CN disclosed
CN-119836282-A Composition for lightening keratin fibres and method for lightening keratin fibres using said composition 莱雅公司 2025-04-15 — — CN disclosed
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