SCHEMBL7662191

SCHEMBL7662191

CSC(C[C@H](NC(=O)c1cc(CNC(Cn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1)C(=O)O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PTGS2 P35354 1/20 0.37
PGGT1B P53609 1/20 0.37
CYP51A1 Q16850 4/20 0.36
LMNA P02545 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
SCHEMBL7657859 0.88 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7662187 0.82 FNTA (0.52) FNTAFNTBCYP3A4CYP2C19CYP2D6
SCHEMBL7653717 0.81 FNTA (0.51) FNTAFNTB
SCHEMBL7668699 0.79 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7564412 0.76 FNTA (0.49) FNTAFNTBPTGS2PGGT1B
SCHEMBL7664949 0.76 PTGS2 (0.40) PTGS2CYP51A1LMNA
SCHEMBL7657939 0.75 CYP3A4 (0.41) FNTAFNTBCYP3A4CYP2C19CYP2D6
SCHEMBL7657854 0.75 FNTA (0.49) FNTAFNTBPGGT1BCYP51A1
SCHEMBL7562597 0.75 FNTA (0.49) FNTAFNTBCYP3A4CYP2C19CYP2D6
SCHEMBL7657870 0.75 FNTA (0.53) FNTAFNTBPGGT1B

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