SCHEMBL30460591

SCHEMBL30460591

Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.Nc1ccc(S(=O)(=O)[O-])cc1.[Au+3].[Na+]

nearest known ligand 0.59

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
CA2 known ✓ P00918 4/20 0.56
CA1 known ✓ P00915 3/20 0.56
CA12 known ✓ O43570 3/20 0.56
CA4 known ✓ P22748 1/20 0.56
DHFR known ✓ P00374 1/20 0.42
TSHR P16473 4/20 0.59
LMNA P02545 3/20 0.59
HTR6 P50406 2/20 0.59
MPO P05164 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CA9 Q16790 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
CA14 Q9ULX7 2/20 0.56
AGO2 Q9UKV8 2/20 0.56
USP2 O75604 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA13 Q8N1Q1 1/20 0.56

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
SCHEMBL28999750 0.97 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL7766922 0.97 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL646075 0.97 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4
Water SCHEMBL2045997 0.95 TSHR (0.59) TSHRLMNAHTR6MPOCYP3A4
Potassium Ion SCHEMBL28275691 0.95 TSHR (0.59) TSHRLMNAHTR6MPOCYP3A4
Water SCHEMBL4384703 0.95 TSHR (0.59) TSHRLMNAHTR6MPOCYP3A4
Formaldehyde SCHEMBL9472914 0.92 TSHR (0.56) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL11316984 0.92 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL31212650 0.92 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL31108168 0.92 TSHR (0.62) TSHRLMNAHTR6MPOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117562992-A Anti-human VISTA antibodies and uses thereof 伊穆奈克斯特股份有限公司 2024-02-20 CN disclosed
CN-109789201-B Anti-human VISTA antibodies and uses thereof 伊穆奈克斯特股份有限公司 2023-06-16 CN disclosed