SCHEMBL16112010

SCHEMBL16112010

Cc1noc(C)c1-c1[c]c2cc(Cl)ccc2n(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
EP300 Q09472 1/20 0.41
CREBBP Q92793 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39

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
SCHEMBL20150683 0.78 BRD4 (0.46) BRD4ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL21566543 0.72 BRD4 (0.41) BRD4ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL17457424 0.72 BRD4 (0.41) BRD4ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL17527341 0.69 BRD4 (0.51) BRD4ALDH1A1CYP3A4CYP2C9BRD2
SCHEMBL29920839 0.68 MIF (0.61) BRD4ALDH1A1
SCHEMBL17807864 0.68 BRD4 (0.58) BRD4CYP3A4CYP2C9BRD2BRD3
SCHEMBL17798015 0.68 MIF (0.61) BRD4ALDH1A1
SCHEMBL17798168 0.68 BRD4 (0.58) BRD4EP300CREBBPBRD2BRD3
SCHEMBL15815509 0.68 BRD4 (0.58) BRD4ALDH1A1CYP3A4CYP2C9BRD2
SCHEMBL15815388 0.67 BRD4 (0.70) BRD4EP300CREBBPBRD2BRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968360-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS ConverGene LLC (US) 2016-01-20 EP disclosed
WO-2014159837-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS CONVERGENE LLC (US) 2014-10-02 WO disclosed