SCHEMBL7653580

SCHEMBL7653580

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.44
FNTB P49356 5/20 0.44
PGGT1B P53609 1/20 0.40
CYP51A1 Q16850 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP24A1 Q07973 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
SCHEMBL7668699 0.93 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7653592 0.87 FNTA (0.41) FNTAFNTBCYP51A1PTGS2
SCHEMBL7656299 0.87 FNTA (0.52) FNTAFNTB
SCHEMBL7657859 0.85 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7660347 0.82 FNTA (0.54) FNTAFNTB
SCHEMBL7564412 0.82 FNTA (0.49) FNTAFNTBPGGT1BPTGS2
SCHEMBL7657854 0.81 FNTA (0.49) FNTAFNTBPGGT1BCYP51A1CYP24A1
SCHEMBL7562597 0.81 FNTA (0.49) FNTAFNTBPGGT1BPTGS2
SCHEMBL7657870 0.80 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7609223 0.79 FNTA (0.52) 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