SCHEMBL7166994

SCHEMBL7166994

N#Cc1ccc(Cn2cncc2C(=O)[O-])cc1F.[Na+]

nearest known ligand 0.46

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 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.46
CYP11B1 P15538 8/20 0.46
CACNA1H O95180 10/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39

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
SCHEMBL6410255 0.87 CYP11B2 (0.47) CYP11B2CYP11B1CACNA1HFNTAFNTB
Lithium Ion SCHEMBL7704749 0.82 CYP11B2 (0.44) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL7939449 0.80 CYP11B1 (0.69) CYP11B2CYP11B1FNTAFNTB
Lithium Ion SCHEMBL7709340 0.80 CYP11B2 (0.50) CYP11B2CYP11B1CACNA1H
SCHEMBL6452310 0.79 CYP11B1 (0.46) CYP11B2CYP11B1CACNA1HFNTAFNTB
Bromide SCHEMBL7629321 0.78 CYP11B1 (0.45) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL7704754 0.78 CYP11B1 (0.45) CYP11B2CYP11B1CACNA1HFNTAFNTB
SCHEMBL6433915 0.78 CYP11B1 (0.64) CYP11B2CYP11B1CACNA1H
SCHEMBL4724498 0.78 CYP11B1 (0.43) CYP11B2CYP11B1CACNA1H
SCHEMBL7263769 0.77 CYP11B1 (0.42) CYP11B2CYP11B1CACNA1HCACNA1GCACNA1I

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-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed