SCHEMBL19931012

SCHEMBL19931012

CSc1ccc(OCC2CCC2)c(C2=CN(C)CC=C2)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.37
AR P10275 1/20 0.32
PTGER1 P34995 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
SCHEMBL19930642 0.76 BRD4 (0.38) BRD4
SCHEMBL25043044 0.74 C5AR1 (0.33) BRD4ARPTGER1
SCHEMBL25043315 0.72 BRD4 (0.62) BRD4
SCHEMBL19931011 0.70 BRD4 (0.50) BRD4
SCHEMBL19931271 0.69 BRD4 (0.34) BRD4
SCHEMBL19931045 0.67 PDE4A (0.32) BRD4
SCHEMBL20118620 0.67 BRD4 (0.37) BRD4PTGER1
SCHEMBL21915864 0.67 BRD4 (0.68) BRD4
SCHEMBL19931063 0.66 BRD4 (0.49) BRD4
SCHEMBL19931229 0.66 BRD4 (0.49) BRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed
EP-3290407-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc (US) 2018-03-07 EP disclosed