SCHEMBL7658756

SCHEMBL7658756

CSCC[C@H](NC(=O)c1cc(C(NCCn2ccnc2)c2ccc(F)cc2)ccc1C(C)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
CYP19A1 P11511 2/20 0.39
PGGT1B P53609 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP51A1 Q16850 3/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7653727 0.88 FNTA (0.54) FNTAFNTBCYP19A1ALDH1A1
SCHEMBL7657870 0.87 FNTA (0.53) FNTAFNTBCYP19A1PGGT1BALDH1A1
SCHEMBL7658747 0.85 FNTA (0.46) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7662195 0.83 NAMPT (0.36) FNTAFNTBCYP19A1CYP51A1NAMPT
SCHEMBL7653592 0.79 FNTA (0.41) FNTAFNTBCYP19A1CYP3A4CYP2D6
SCHEMBL8187004 0.77 FNTA (0.53) FNTAFNTBCYP19A1ALDH1A1
SCHEMBL7654320 0.74 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7653717 0.74 FNTA (0.51) FNTAFNTBALDH1A1
SCHEMBL7612446 0.74 FNTA (0.53) FNTAFNTBPGGT1BALDH1A1
SCHEMBL7660388 0.74 FNTA (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

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