SCHEMBL7653717

SCHEMBL7653717

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.51
FNTB P49356 7/20 0.51
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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 0.93 FNTA (0.51) FNTAFNTBALDH1A1NPSR1
SCHEMBL7656299 0.92 FNTA (0.52) FNTAFNTBALDH1A1NPSR1
SCHEMBL7612438 0.87 FNTA (0.49) FNTAFNTB
SCHEMBL7660347 0.87 FNTA (0.54) FNTAFNTB
SCHEMBL7653727 0.87 FNTA (0.54) FNTAFNTBALDH1A1NPSR1
SCHEMBL7663222 0.86 FNTA (0.48) FNTAFNTB
SCHEMBL7668699 0.85 FNTA (0.51) FNTAFNTBALDH1A1NPSR1
SCHEMBL7664949 0.84 PTGS2 (0.40)
SCHEMBL8187004 0.84 FNTA (0.53) FNTAFNTBALDH1A1NPSR1
SCHEMBL7662187 0.84 FNTA (0.52) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US disclosed
EP-1025089-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 2000-08-09 EP disclosed
WO-1999020612-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-04-29 WO disclosed