SCHEMBL7662195

SCHEMBL7662195

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
CYP19A1 P11511 2/20 0.35
POLB P06746 2/20 0.35
PTGS2 P35354 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
CYP51A1 Q16850 3/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2A P29274 1/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTAFR P25105 1/20 0.31

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
SCHEMBL7662201 0.89 FNTA (0.35) NAMPTCYP19A1POLBPTGS2FNTA
SCHEMBL7658756 0.83 FNTA (0.49) NAMPTCYP19A1POLBFNTAFNTB
SCHEMBL7653727 0.71 FNTA (0.54) CYP19A1FNTAFNTB
SCHEMBL7657870 0.71 FNTA (0.53) CYP19A1FNTAFNTB
SCHEMBL7664955 0.69 CYP19A1 (0.45) NAMPTCYP19A1POLBLMNA
SCHEMBL7658747 0.68 FNTA (0.46) PTGS2FNTAFNTBCYP51A1ALOX15
SCHEMBL7667718 0.68 CYP19A1 (0.40) NAMPTCYP19A1POLBPTGS2LMNA
SCHEMBL7653592 0.67 FNTA (0.41) CYP19A1PTGS2FNTAFNTBCYP51A1
SCHEMBL7561794 0.65 FNTA (0.40) NAMPTCYP19A1POLBPTGS2FNTA
SCHEMBL7656241 0.65 CYP51A1 (0.40) PTGS2FNTAFNTBCYP51A1

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