Bispyribac

Bispyribac

SCHEMBL8157108

COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)[O-])n1.[Na+].c1cnc(Oc2ncccn2)nc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Bispyribac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44

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
Bispyribac SCHEMBL116404 0.92 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4GAA
Bispyribac SCHEMBL2114790 0.91 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4GAA
Bispyribac SCHEMBL28123615 0.91 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4GAA
Bispyribac SCHEMBL9195412 0.90 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CYP3A4GAA
SCHEMBL9622844 0.84 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL9692214 0.82 CTSA (0.55) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
SCHEMBL9622225 0.81 NPSR1 (0.58) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
Bispyribac SCHEMBL28852093 0.80 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19CYP3A4GAA
Potassium Ion SCHEMBL9694225 0.80 CTSA (0.55) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1
Water SCHEMBL9693984 0.79 CTSA (0.54) CYP1A2CYP2C9CYP2C19CYP3A4NPSR1

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
US-6103664-A Synergistic herbicidal mixtures containing cyclohexenone oxime ethers BASF AKTIENGESELLSCHAFT (DE) 2000-08-15 US claimed