SCHEMBL7706027

SCHEMBL7706027

NC(=O)CC[C@H](NC(=O)c1ccc(/C=C(/Cn2ccnc2)c2ccc(F)cc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
POLB P06746 1/20 0.41
CYP51A1 Q16850 4/20 0.41
CYP26A1 O43174 5/20 0.40
CYP19A1 P11511 1/20 0.40
CYP24A1 Q07973 1/20 0.40
AGTR2 P50052 1/20 0.39
FPGS Q05932 1/20 0.38

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
SCHEMBL7706032 1.00 CA2 (0.45) CA2CA1POLBCYP51A1CYP26A1
SCHEMBL7706049 0.91 AGTR2 (0.46) CA2CA1CYP51A1CYP26A1CYP19A1
SCHEMBL7706060 0.91 AGTR2 (0.46) CA2CA1CYP51A1CYP26A1CYP19A1
SCHEMBL8617653 0.87 FNTA (0.45) CA2CA1POLBCYP51A1CYP26A1
SCHEMBL7703378 0.87 FNTA (0.45) CA2CA1POLBCYP51A1CYP26A1
SCHEMBL8617640 0.87 FNTA (0.45) CA2CA1POLBCYP51A1CYP26A1
SCHEMBL7703375 0.87 FNTA (0.45) CA2CA1POLBCYP51A1CYP26A1
SCHEMBL7703357 0.81 AGTR2 (0.48) POLBCYP51A1CYP26A1CYP19A1AGTR2
SCHEMBL7703354 0.81 AGTR2 (0.48) POLBCYP51A1CYP26A1CYP19A1AGTR2
SCHEMBL7703427 0.80 AGTR2 (0.45) POLBCYP51A1CYP19A1AGTR2

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