SCHEMBL7657941

SCHEMBL7657941

CSCC[C@](C)(NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP51A1 Q16850 4/20 0.34
PTGS2 P35354 1/20 0.34
CYP26A1 O43174 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
RPS6KB1 P23443 1/20 0.33
TBXAS1 P24557 2/20 0.33
POLB P06746 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL7656241 0.88 CYP51A1 (0.40) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7667482 0.87 PTGS2 (0.43) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7660347 0.84 FNTA (0.54) FNTAFNTB
SCHEMBL7665403 0.81 CYP19A1 (0.41) CYP51A1PTGS2AURKAPDPK1RPS6KB1
SCHEMBL7657934 0.81 FNTA (0.46) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7660603 0.79 PTGS2 (0.40) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7657939 0.79 CYP3A4 (0.41) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7656299 0.78 FNTA (0.52) FNTAFNTB
SCHEMBL7585240 0.78 PTGS2 (0.43) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7561783 0.78 PTGS2 (0.43) FNTAFNTBCYP3A4CYP2D6CYP2C9

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