SCHEMBL7706350

SCHEMBL7706350

CSCC[C@H](NC(=O)c1ccc(C=C(Cn2ccnc2)c2nccs2)c(-c2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
AGTR2 P50052 1/20 0.40
CYP26A1 O43174 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
SCHEMBL7706347 1.00 FNTA (0.46) FNTAFNTBCYP3A4CYP2C19AGTR2
SCHEMBL8212186 0.87 FNTA (0.44) FNTAFNTBAGTR2
SCHEMBL8212192 0.87 FNTA (0.44) FNTAFNTBAGTR2
SCHEMBL8198535 0.86 FNTA (0.54) FNTAFNTB
SCHEMBL8205645 0.86 FNTA (0.54) FNTAFNTB
SCHEMBL8206498 0.83 FNTA (0.41) FNTAFNTB
SCHEMBL8227503 0.81 FNTA (0.41) FNTAFNTB
SCHEMBL8227501 0.81 FNTA (0.41) FNTAFNTB
SCHEMBL7706180 0.81 FNTA (0.51) FNTAFNTB
SCHEMBL7706173 0.81 FNTA (0.51) FNTAFNTB

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 4 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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed