SCHEMBL23073183

SCHEMBL23073183

CCCCn1c(C)nc2c(N[S+](C)[O-])cc(-c3cc(C)c(=O)n(C)c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 17/20 0.44
CREBBP Q92793 1/20 0.34
TLR4 O00206 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL23072969 0.89 BRD4 (0.38) BRD4
SCHEMBL23473105 0.86 BRD4 (0.46) BRD4TLR4TLR9TLR8TLR7
SCHEMBL23473064 0.85 BRD4 (0.45) BRD4CREBBPTLR4TLR9TLR8
SCHEMBL23073134 0.85 BRD4 (0.52) BRD4
SCHEMBL18152877 0.84 BRD4 (0.44) BRD4CREBBP
SCHEMBL18538415 0.84 BRD4 (0.52) BRD4CREBBP
Hydrochloric Acid SCHEMBL18152805 0.83 BRD4 (0.43) BRD4CREBBP
SCHEMBL18164198 0.83 BRD4 (0.47) BRD4
SCHEMBL23073126 0.83 BRD4 (0.47) BRD4
SCHEMBL23072991 0.81 BRD4 (0.47) 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