SCHEMBL4739807

SCHEMBL4739807

COc1cccc2c1C(=CCc1c(C(=O)N(C)C)cc3c(nc(C)n3C)c1OC(=O)C(C)(C)C)CC2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL4737211 0.89 CYP19A1 (0.34) PTK2CYP19A1CYP11B1CYP11B2
SCHEMBL4737851 0.85 CYP19A1 (0.32) CYP19A1CYP11B1CYP11B2
SCHEMBL4735019 0.85 NQO2 (0.38) CYP19A1CYP11B2
SCHEMBL4735017 0.84
SCHEMBL4735621 0.84
SCHEMBL4734337 0.84 DUSP10 (0.31)
SCHEMBL4736286 0.84
SCHEMBL4735242 0.83 FNTA (0.31)
SCHEMBL4738139 0.81 ACHE (0.35)
SCHEMBL4738145 0.81 ACHE (0.35)

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
WO-2008071765-A1 PHARMACEUTICALLY ACTIVE SPIRO-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES NYCOMED GMBH (DE) 2008-06-19 WO disclosed