SCHEMBL29837421

SCHEMBL29837421

Nc1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1S(=O)(=O)O.[Na+]

nearest known ligand 0.50

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 2/20 0.47
▸ PTGS1 known ✓ P23219 2/20 0.43
▸ PTGS2 known ✓ P35354 2/20 0.43
▸ SENP2 Q9HC62 7/20 0.50
▸ SUMO2 P61956 5/20 0.50
▸ SUMO1 P63165 5/20 0.50
▸ SENP7 Q9BQF6 5/20 0.50
▸ PLCG1 P19174 1/20 0.50
▸ SLC7A11 Q9UPY5 1/20 0.49
▸ SENP3 Q9H4L4 6/20 0.48
▸ SENP1 Q9P0U3 6/20 0.48
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PHLPP2 Q6ZVD8 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ APP P05067 2/20 0.41

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
SCHEMBL4881910 0.89 SLC7A11 (0.52) SENP2SUMO2SUMO1SENP7PLCG1
SCHEMBL339834 0.89 SLC7A11 (0.52) SENP2SUMO2SUMO1SENP7PLCG1
SCHEMBL31099405 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL110924 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL1436156 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL110923 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL22974903 0.88 SENP2 (0.53) SENP2SUMO2SUMO1SENP7PLCG1
SCHEMBL8969844 0.88 SENP2 (0.59) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL1436155 0.88 SENP2 (0.59) SENP2SUMO2SUMO1SENP7SENP3
SCHEMBL13578938 0.83 SENP2 (0.56) SENP2SUMO2SUMO1SENP7SLC7A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 — — EP disclosed
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
US-11427684-B2 Photopatterned planarization layers for flexible electronics ARES Materials, Inc. (US) 2022-08-30 — — US disclosed
US-20220241203-A1 METHOD FOR PRODUCTION OF LIPOSOMES UNIVERSIDADE DO MINHO (PT) 2022-08-04 — — US disclosed
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