SCHEMBL23073170

SCHEMBL23073170

CC[S+]([O-])Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1nc(OC)n2CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.42
BAZ2A Q9UIF9 7/20 0.42
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
BRD9 Q9H8M2 2/20 0.36
TAF1 P21675 1/20 0.36
BRD2 P25440 1/20 0.36
BRPF1 P55201 1/20 0.36
EP300 Q09472 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
CREBBP Q92793 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
BAZ2B Q9UIF8 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
SCHEMBL18164253 0.92 BRD4 (0.43) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL23072960 0.85 BRD4 (0.42) BRD4BAZ2A
SCHEMBL18152756 0.85 BRD4 (0.47) BRD4BAZ2ACREBBP
SCHEMBL23073116 0.84 BRD4 (0.44) BRD4BAZ2AGRIN1GRIN2BBRD9
SCHEMBL18152861 0.84 BRD4 (0.47) BRD4BAZ2ABRD9BRD2
SCHEMBL23473105 0.81 BRD4 (0.46) BRD4BAZ2A
SCHEMBL18164254 0.80 BRD4 (0.44) BRD4BAZ2A
SCHEMBL23072962 0.80 BRD4 (0.44) BRD4BAZ2A
SCHEMBL23073269 0.80 BRD4 (0.45) BRD4BAZ2ABRD9
SCHEMBL18152790 0.79 BRD4 (0.44) BRD4BAZ2ABRD9BRD2

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-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed