SCHEMBL31494294

SCHEMBL31494294

O=S(=O)([O-])c1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)ccc1/C=C/c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.70

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
▸ RAD51 Q06609 2/20 0.70
▸ MAPT P10636 3/20 0.53
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC8 Q9BY41 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ PTPN2 P17706 2/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ PTPN5 P54829 2/20 0.45
▸ HSPD1 P10809 1/20 0.45
▸ HSPE1 P61604 1/20 0.45

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
SCHEMBL31389367 0.83 RAD51 (1.00) RAD51MAPTALDH1A1LMNAPGR
SCHEMBL31389363 0.82 RAD51 (1.00) RAD51MAPTALDH1A1LMNAKMT2A
SCHEMBL31389372 0.79 RAD51 (0.72) RAD51MAPTHDAC1ALDH1A1LMNA
SCHEMBL31389373 0.79 RAD51 (0.72) RAD51MAPTHDAC1ALDH1A1LMNA
SCHEMBL10361762 0.78 MAPT (0.65) MAPTHDAC1HDAC8ALDH1A1LMNA
SCHEMBL7571166 0.75 MAPT (0.80) MAPTHDAC1HDAC8ALDH1A1LMNA
SCHEMBL11656781 0.73 HDAC1 (0.52) MAPTHDAC1HDAC8ALDH1A1LMNA
SCHEMBL3915665 0.73 HDAC1 (0.65) MAPTHDAC1HDAC8ALDH1A1LMNA
SCHEMBL25373350 0.72 MAPT (0.62) MAPTHDAC1HDAC8ALDH1A1LMNA
SCHEMBL7580420 0.72 MAPT (0.62) MAPTHDAC1HDAC8ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459163-B2 SKIN CARE COMPOSITIONS, IN PARTICULAR AGAINST HYDROPHOBIC (LIPOPHILIC) AND HYDROPHILIC (LYPOPHOBIC) CONTAMINANTS DEB IP LTD (GB) 2025-04-16 — — EP disclosed
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