SCHEMBL7658747

SCHEMBL7658747

CSCC[C@H](NC(=O)c1cc(C(N)C(Cn2ccnc2)c2ccc(F)cc2)ccc1C(C)c1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
CYP51A1 Q16850 6/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
CYP26A1 O43174 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL7657854 0.87 FNTA (0.49) FNTAFNTBCYP51A1ALDH1A1
SCHEMBL7658756 0.85 FNTA (0.49) FNTAFNTBCYP51A1CYP3A4CYP2C19
SCHEMBL7653592 0.80 FNTA (0.41) FNTAFNTBCYP51A1CYP3A4CYP2C19
SCHEMBL7654320 0.76 FNTA (0.53) FNTAFNTB
SCHEMBL7660388 0.75 FNTA (0.56) FNTAFNTB
SCHEMBL7653575 0.75 PTGS2 (0.37) FNTAFNTBCYP51A1CYP3A4CYP2C19
SCHEMBL7660347 0.75 FNTA (0.54) FNTAFNTB
SCHEMBL7656299 0.75 FNTA (0.52) FNTAFNTBALDH1A1
SCHEMBL7705994 0.74 AGTR2 (0.54) FNTAFNTB
SCHEMBL7653717 0.74 FNTA (0.51) FNTAFNTBALDH1A1

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