SCHEMBL7656299

SCHEMBL7656299

CSCC[C@H](NC(=O)c1cc(NC(Cn2ccnc2)c2ccc(F)cc2)ccc1Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.52
FNTB P49356 6/20 0.52
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7660347 0.94 FNTA (0.54) FNTAFNTB
SCHEMBL7668699 0.93 FNTA (0.51) FNTAFNTBALDH1A1NPSR1
SCHEMBL7653717 0.92 FNTA (0.51) FNTAFNTBALDH1A1NPSR1
SCHEMBL7653580 0.87 FNTA (0.44) FNTAFNTB
SCHEMBL7612438 0.87 FNTA (0.49) FNTAFNTB
SCHEMBL7657934 0.86 FNTA (0.46) FNTAFNTB
SCHEMBL7654320 0.86 FNTA (0.53) FNTAFNTB
SCHEMBL7653727 0.86 FNTA (0.54) FNTAFNTBALDH1A1NPSR1
SCHEMBL7660388 0.85 FNTA (0.56) FNTAFNTB
SCHEMBL8187004 0.85 FNTA (0.53) FNTAFNTBALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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