SCHEMBL21916249

SCHEMBL21916249

CC[S+]([O-])Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3cncn23)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.75

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
SCHEMBL16657978 0.91 BRD4 (0.73) BRD4
SCHEMBL16650897 0.86 BRD4 (1.00) BRD4
SCHEMBL19931517 0.85 BRD4 (0.74) BRD4
SCHEMBL16651003 0.84 BRD4 (0.84) BRD4
SCHEMBL29849025 0.84 BRD4 (0.84) BRD4
SCHEMBL16651371 0.83 BRD4 (1.00) BRD4
SCHEMBL16657979 0.82 BRD4 (0.71) BRD4
SCHEMBL16651314 0.81 BRD4 (0.75) BRD4
SCHEMBL19930821 0.80 BRD4 (0.70) BRD4
SCHEMBL16650583 0.80 BRD4 (0.75) 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
EP-3640241-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-04-22 EP disclosed