SCHEMBL23073049

SCHEMBL23073049

CC[S+]([O-])c1cc(-c2cc(OC)c(=O)n(C)c2)cc2c1nc(C)n2Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.43
DCTPP1 Q9H773 1/20 0.39
CREBBP Q92793 1/20 0.38

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
SCHEMBL23073142 0.83 BRD4 (0.36) BRD4
SCHEMBL18152800 0.83 BRD4 (0.56) BRD4
SCHEMBL18541745 0.82 BRD4 (0.44) BRD4
SCHEMBL18538434 0.77 BRD4 (0.46) BRD4DCTPP1
SCHEMBL23473033 0.76 BRD4 (0.44) BRD4DCTPP1
SCHEMBL23073134 0.73 BRD4 (0.52) BRD4
SCHEMBL23073148 0.72 BRD4 (0.46) BRD4
SCHEMBL23073001 0.72 BRD4 (0.43) BRD4
SCHEMBL18152785 0.71 BRD4 (0.48) BRD4
SCHEMBL23072969 0.71 BRD4 (0.38) 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-3283077-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2021-03-10 EP disclosed