SCHEMBL5836637

SCHEMBL5836637

COC(=O)c1ccc(NC2CC(C)N(C(C)=O)c3ccc(Cl)cc32)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.75
BRD2 P25440 14/20 0.75
BRD3 Q15059 13/20 0.75
TRIM24 O15164 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
TAF1 P21675 1/20 0.69
CYP2C19 P33261 1/20 0.69
EP300 Q09472 1/20 0.69
BRDT Q58F21 1/20 0.69
PBRM1 Q86U86 1/20 0.69
TAF1L Q8IZX4 1/20 0.69
CREBBP Q92793 1/20 0.69
BRWD1 Q9NSI6 1/20 0.69
TRIM33 Q9UPN9 1/20 0.69
CCL2 P13500 1/20 0.57

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
SCHEMBL5836648 1.00 BRD4 (0.75) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5836642 1.00 BRD4 (0.75) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL11909004 0.92 BRD4 (0.84) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL8225867 0.92 BRD4 (0.84) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5836571 0.91 BRD4 (0.78) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5836566 0.91 BRD4 (0.78) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5836562 0.91 BRD4 (0.78) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5837155 0.91 BRD4 (0.78) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5837162 0.91 BRD4 (0.78) BRD4BRD2BRD3TRIM24CYP3A4
SCHEMBL5837533 0.90 BRD4 (0.75) BRD4BRD2BRD3TRIM24CYP3A4

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
US-7030246-B2 Tetrahydroquinoline derivatives as stat6-modulators, preparation and use thereof ASTRAZENECA AB (SE) 2006-04-18 US disclosed