SCHEMBL23073136

SCHEMBL23073136

CCCCn1cnc2c(NSCC)cc(-c3cc(C)c(=O)n(C)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.42
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
BRD9 Q9H8M2 3/20 0.35
BRD2 P25440 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
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
SCHEMBL18152863 0.84 BRD4 (0.50) BRD4ALDH1A1TDP1LMNACREBBP
SCHEMBL20158760 0.82 BRD4 (0.47) BRD4ALDH1A1TDP1LMNABRD9
SCHEMBL23073011 0.81 BRD4 (0.42) BRD4
SCHEMBL23073006 0.81 BRD4 (0.50) BRD4
SCHEMBL18164538 0.76 BRD4 (0.42) BRD4ALDH1A1TDP1LMNABRD9
SCHEMBL23473023 0.75 BRD4 (0.63) BRD4
SCHEMBL23473064 0.73 BRD4 (0.45) BRD4CREBBPTLR4TLR9TLR8
SCHEMBL18542060 0.73 BRD4 (0.41) BRD4ALDH1A1LMNA
SCHEMBL23072951 0.72 BRD4 (0.61) BRD4
SCHEMBL23072940 0.72 BRD4 (0.61) BRD4BRD2

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