SCHEMBL4737849

SCHEMBL4737849

Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CCC1(CCc2cc(Cl)ccc21)O3

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
GFER P55789 1/20 0.31
GAA P10253 1/20 0.31
SRD5A1 P18405 4/20 0.31
PTGER1 P34995 1/20 0.31
SRD5A2 P31213 2/20 0.31
AVPR1A P37288 1/20 0.30

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
SCHEMBL4739803 0.91
SCHEMBL14068758 0.90
SCHEMBL4735029 0.89 NPY5R (0.33) KDM4E
SCHEMBL4737352 0.88 LMNA (0.33)
SCHEMBL4738952 0.87
SCHEMBL4736369 0.85 PIN1 (0.30)
SCHEMBL4736353 0.84 HRH3 (0.32)
SCHEMBL14068756 0.82
SCHEMBL4739249 0.80 PIN1 (0.31)
SCHEMBL4782354 0.79 KDM4E (0.32) KDM4E

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 claimed