SCHEMBL7709029

SCHEMBL7709029

CSCC[C@H](NC(=O)c1ccc(/C=C(/Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FNTA P49354 10/20 0.44
FNTB P49356 10/20 0.44
CYP51A1 Q16850 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
SCHEMBL7709033 1.00 FNTA (0.44) FNTAFNTBCYP51A1
SCHEMBL8223346 0.88 FNTA (0.47) FNTAFNTBCYP51A1
SCHEMBL7706082 0.88 FNTA (0.55) FNTAFNTB
SCHEMBL7706086 0.88 FNTA (0.55) FNTAFNTB
SCHEMBL8360606 0.87 FNTA (0.52) FNTAFNTB
SCHEMBL7703301 0.87 FNTA (0.52) FNTAFNTB
SCHEMBL7703293 0.87 FNTA (0.52) FNTAFNTB
SCHEMBL7703286 0.86 FNTA (0.39) FNTAFNTBCYP51A1
SCHEMBL7703285 0.86 FNTA (0.39) FNTAFNTBCYP51A1
SCHEMBL7709090 0.85 FNTA (0.44) FNTAFNTBCYP51A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US claimed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed