SCHEMBL14756338

SCHEMBL14756338

CNCc1ccc(-c2ccc3c(c2)[C@H](N)C[C@H](C)N3C(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69
BRD2 P25440 18/20 0.69
BRD3 Q15059 18/20 0.69
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
TRIM24 O15164 1/20 0.46
TAF1 P21675 1/20 0.46
EP300 Q09472 1/20 0.46
BRDT Q58F21 1/20 0.46
PBRM1 Q86U86 1/20 0.46
TAF1L Q8IZX4 1/20 0.46
CREBBP Q92793 1/20 0.46
BRWD1 Q9NSI6 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46

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
SCHEMBL14756237 0.87 BRD4 (0.74) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL14756260 0.86 BRD4 (0.72) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL14756234 0.85 BRD4 (0.77) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL15980848 0.84 BRD4 (0.69) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL8221608 0.84 BRD4 (0.76) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL1906140 0.83 BRD4 (0.67) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11978841 0.83 BRD4 (0.67) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11909861 0.83 BRD4 (0.75) BRD4BRD2BRD3CYP3A4CYP2C9
SCHEMBL11909607 0.83 BRD4 (0.64) BRD4BRD2BRD3CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL11909865 0.83 BRD4 (0.75) BRD4BRD2BRD3CYP3A4CYP2C9

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
WO-2013033268-A2 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed