SCHEMBL7694133

SCHEMBL7694133

CSCC[C@H](NC(=O)c1ccc(COC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1)C(=O)NSc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.43
FNTB P49356 5/20 0.43
IDO1 P14902 2/20 0.42
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
NR1I2 O75469 1/20 0.38
TRPM2 O94759 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
NR3C1 P04150 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP17A1 P05093 1/20 0.38
FYN P06241 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 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
SCHEMBL7562645 0.90 FNTA (0.42) FNTAFNTBIDO1PTGS2CYP3A4
SCHEMBL7562577 0.88 FNTA (0.55) FNTAFNTBPTGS2
SCHEMBL7563102 0.86 FNTA (0.58) FNTAFNTBPTGS2
SCHEMBL7563466 0.79 FNTA (0.51) FNTAFNTB
SCHEMBL7563904 0.78 PTGS2 (0.45) FNTAFNTBIDO1PTGS2CYP3A4
SCHEMBL7561955 0.78 FNTA (0.51) FNTAFNTBIDO1PTGS2CYP3A4
SCHEMBL7561152 0.78 FNTA (0.51) FNTAFNTBPTGS2CYP3A4CYP2D6
SCHEMBL7561783 0.77 PTGS2 (0.43) FNTAFNTBIDO1PTGS2CYP1A2
SCHEMBL7863505 0.77 PTGS2 (0.45) FNTAFNTBIDO1PTGS2CYP1A2
SCHEMBL7585240 0.77 PTGS2 (0.43) FNTAFNTBIDO1PTGS2CYP1A2

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-6342765-B1 COMPOUNDS THAT INHIBIT FARNESYLATION OF MUTANT RAS GENE PRODUCTS; TREATING DISEASES, ESPECIALLY CANCER, WHICH ARE MEDIATED THROUGH FARNESYLATION OF RAS ASTRAZENECA UK LIMITED (GB) 2002-01-29 US disclosed