SCHEMBL7662201

SCHEMBL7662201

CSCC[C@](NC(=O)c1cc(C(NCCn2ccnc2)c2ccc(F)cc2)ccc1CCc1ccc(F)cc1)(C(=O)O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
NAMPT P43490 2/20 0.34
CYP19A1 P11511 3/20 0.34
POLB P06746 1/20 0.33
CYP24A1 Q07973 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.32
PTGS2 P35354 1/20 0.32
PGGT1B P53609 1/20 0.32
HAT1 O14929 1/20 0.31
EP300 Q09472 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
SCHEMBL7662195 0.89 NAMPT (0.36) FNTAFNTBNAMPTCYP19A1POLB
SCHEMBL7657870 0.83 FNTA (0.53) FNTAFNTBCYP19A1PGGT1B
SCHEMBL7653727 0.77 FNTA (0.54) FNTAFNTBCYP19A1
SCHEMBL7664955 0.74 CYP19A1 (0.45) NAMPTCYP19A1POLBLMNAMAPK1
SCHEMBL7658756 0.72 FNTA (0.49) FNTAFNTBNAMPTCYP19A1POLB
SCHEMBL7667718 0.72 CYP19A1 (0.40) NAMPTCYP19A1POLBLMNAMAPK1
SCHEMBL7864472 0.71 SLC6A3 (0.34) FNTAFNTBCYP19A1CYP24A1LMNA
SCHEMBL7657859 0.70 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7609223 0.70 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL7668699 0.69 FNTA (0.51) 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 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