SCHEMBL18898320

SCHEMBL18898320

Cc1noc(C)c1-c1cc2c(c(-c3c(C)noc3C)c1)OCC(O)N2

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.45
ERN1 O75460 1/20 0.39
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL17698656 0.76 BRD4 (0.46) BRD4ERN1NR3C1PGR
SCHEMBL17698773 0.74 NR3C2 (0.47) BRD4ERN1NR3C1PGR
SCHEMBL17773288 0.66 BRD4 (0.47) BRD4
SCHEMBL16132522 0.65 BRD4 (0.54) BRD4ERN1
SCHEMBL18635774 0.63 BRD4 (0.44) BRD4ERN1
SCHEMBL17698710 0.63 BRD4 (0.47) BRD4ERN1
SCHEMBL16225464 0.63 BRD4 (0.51) BRD4ERN1
SCHEMBL18635203 0.63 BRD4 (0.51) BRD4ERN1
SCHEMBL24224631 0.62 BRD4 (0.51) BRD4
SCHEMBL16225958 0.62 BRD4 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662311-B2 Substituted bicyclic compounds as bromodomain inhibitors ZENITH EPIGENETICS LTD. (CA) 2017-05-30 US disclosed