SCHEMBL10786709

SCHEMBL10786709

O=C([O-])c1ccccc1NOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.[Na+]

nearest known ligand 0.49

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
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ SLC28A3 Q9HAS3 1/20 0.42
▸ SYNJ2 O15056 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GALK1 P51570 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ EIF4H Q15056 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
SCHEMBL10791387 1.00 SLC5A1 (0.44) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10790693 1.00 SLC5A1 (0.44) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10787142 0.99 SLC5A1 (0.43) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10787955 0.99 SLC5A1 (0.43) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10787455 0.88 SLC5A1 (0.46) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10790825 0.88 SLC5A1 (0.46) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10791277 0.88 SLC5A1 (0.46) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10788242 0.86 SLC5A1 (0.44) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10773805 0.86 SLC5A1 (0.44) SLC5A1SLC5A2SLC28A3SYNJ2KDM4E
SCHEMBL10790249 0.86 POLB (0.48) SLC5A1SLC5A2SLC28A3KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708950-A ANTILIPEMIC AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 — — US claimed
US-4450156-A ANTITUMOR, ANTIINFLAMMATORY, ANTILIPEMIC, ANTIPYRETIC, HYPOGLYCEMIC AND HYPOTENSIVE AGENTS; ANALGESICS, DEPRESSANTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-05-22 — — US claimed
US-4322409-A HYPOTENSIVE, HYPOGLYCEMIC, ANTITUMOR, ANTILIPEMIC AND ANTIINFLAMMATORY AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-03-30 — — US claimed
US-4708950-A ANTILIPEMIC AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 — — US disclosed
US-4450156-A ANTITUMOR, ANTIINFLAMMATORY, ANTILIPEMIC, ANTIPYRETIC, HYPOGLYCEMIC AND HYPOTENSIVE AGENTS; ANALGESICS, DEPRESSANTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-05-22 — — US disclosed
US-4322409-A HYPOTENSIVE, HYPOGLYCEMIC, ANTITUMOR, ANTILIPEMIC AND ANTIINFLAMMATORY AGENTS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-03-30 — — US disclosed
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