SCHEMBL7653592

SCHEMBL7653592

CSCC[C@H](NNC(=O)c1cc(NC(Cn2ccnc2)c2ccc(F)cc2)ccc1C(C)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
CYP51A1 Q16850 6/20 0.39
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP19A1 P11511 1/20 0.35
AURKA O14965 1/20 0.34
PDPK1 O15530 1/20 0.34
RPS6KB1 P23443 1/20 0.34

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
SCHEMBL7653580 0.87 FNTA (0.44) FNTAFNTBCYP51A1PTGS2
SCHEMBL7653575 0.84 PTGS2 (0.37) FNTAFNTBCYP51A1PTGS2CYP3A4
SCHEMBL7656299 0.81 FNTA (0.52) FNTAFNTB
SCHEMBL7654320 0.81 FNTA (0.53) FNTAFNTB
SCHEMBL7658747 0.80 FNTA (0.46) FNTAFNTBCYP51A1PTGS2CYP3A4
SCHEMBL7668699 0.80 FNTA (0.51) FNTAFNTB
SCHEMBL7660388 0.80 FNTA (0.56) FNTAFNTB
SCHEMBL7660347 0.79 FNTA (0.54) FNTAFNTB
SCHEMBL7658756 0.79 FNTA (0.49) FNTAFNTBCYP51A1CYP3A4CYP2C19
SCHEMBL7669307 0.75 FNTA (0.45) FNTAFNTBCYP51A1PTGS2CYP3A4

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-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US claimed