SCHEMBL21648846

SCHEMBL21648846

Cn1cc(-c2cc(S)ccc2OCC2CC2)c2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.55

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
SCHEMBL25043140 0.84 BRD4 (0.49) BRD4
SCHEMBL20094747 0.84 BRD4 (0.56) BRD4
SCHEMBL19930841 0.84 BRD4 (0.51) BRD4
SCHEMBL19931123 0.84 BRD4 (0.52) BRD4
Trotabresib SCHEMBL16650974 0.84 BRD4 (0.74) BRD4
Trotabresib SCHEMBL29380951 0.84 BRD4 (0.74) BRD4
SCHEMBL29848673 0.83 BRD4 (0.74) BRD4
SCHEMBL16650684 0.83 BRD4 (0.74) BRD4
SCHEMBL25043104 0.83 BRD4 (0.52) BRD4
SCHEMBL19930814 0.82 BRD4 (0.56) 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
WO-2020023438-A2 PROCESS FOR THE PREPARATION OF BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2020-01-30 WO disclosed