SCHEMBL7703345

SCHEMBL7703345

CS(=O)(=O)CC[C@H](NC(=O)c1cccc(C=C(Cn2ccnc2)c2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.45
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP51A1 Q16850 5/20 0.39
CYP26A1 O43174 5/20 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
SCHEMBL7703342 1.00 AGTR2 (0.45) AGTR2CYP19A1CYP3A4CYP2C19CYP51A1
SCHEMBL7703354 0.90 AGTR2 (0.48) AGTR2CYP19A1CYP3A4CYP2C19CYP51A1
SCHEMBL7703357 0.90 AGTR2 (0.48) AGTR2CYP19A1CYP3A4CYP2C19CYP51A1
SCHEMBL7703276 0.88 FNTA (0.46) AGTR2CYP3A4CYP2C19
SCHEMBL7706112 0.88 FNTA (0.46) AGTR2CYP3A4CYP2C19
SCHEMBL8206537 0.88 FNTA (0.46) AGTR2CYP3A4CYP2C19
SCHEMBL7703271 0.88 FNTA (0.46) AGTR2CYP3A4CYP2C19
SCHEMBL7706109 0.88 FNTA (0.46) AGTR2CYP3A4CYP2C19
SCHEMBL7703291 0.88 AGTR2 (0.45) AGTR2CYP19A1CYP3A4CYP2C19CYP51A1
SCHEMBL7703300 0.88 AGTR2 (0.45) AGTR2CYP19A1CYP3A4CYP2C19CYP51A1

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 6 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
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed