SCHEMBL8963208

SCHEMBL8963208

N#Cc1cc(Cl)nc(OCc2ccccc2)c1.[H-].[Na+]

nearest known ligand 0.74

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 16)

geneUniProtsupporting neighboursconfidence
GABRG2 known ✓ P18507 1/20 0.46
GABRB3 known ✓ P28472 1/20 0.46
GABRA5 known ✓ P31644 1/20 0.46
GABRA3 known ✓ P34903 1/20 0.46
IMPDH2 known ✓ P12268 1/20 0.38
GRM5 P41594 5/20 0.74
MAOB P27338 2/20 0.49
SQOR Q9Y6N5 1/20 0.42
CNR1 P21554 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PRMT5 O14744 1/20 0.40
NUDT1 P36639 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
GHSR Q92847 1/20 0.39
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL8773165 0.97 GRM5 (0.78) GRM5MAOBGABRG2GABRB3GABRA5
SCHEMBL31060977 0.85 GRM5 (1.00) GRM5MAOBCNR1CYP11B1CYP11B2
SCHEMBL4292772 0.85 GRM5 (1.00) GRM5MAOBCNR1CYP11B1CYP11B2
SCHEMBL4297770 0.81 GRM5 (1.00) GRM5GABRG2GABRB3GABRA5GABRA3
SCHEMBL8546238 0.78 GRM5 (0.64) GRM5CYP11B1CYP11B2
SCHEMBL4299839 0.77 GRM5 (1.00) GRM5CYP11B1CYP11B2MRGPRX4
SCHEMBL31287796 0.76 ALOX5 (0.50) GRM5MAOBPRMT5NUDT1
SCHEMBL14744985 0.76 ALOX5 (0.50) GRM5MAOBPRMT5NUDT1
SCHEMBL24690169 0.75 GRM5 (0.51) GRM5NUDT1
SCHEMBL30020111 0.75 GRM5 (0.51) GRM5NUDT1

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-0692474-A1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed