SCHEMBL2544040

SCHEMBL2544040

COc1cccc(-c2ccc(C3=N[C@@H](C(C)C(=O)O)c4nnc(C)n4-c4sc(CO)c(C)c43)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 19/20 0.60
BRD2 P25440 1/20 0.44
BRDT Q58F21 6/20 0.43
ADORA3 P0DMS8 1/20 0.42
TSPO P30536 1/20 0.42

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
SCHEMBL2536973 0.93 BRD4 (0.51) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2542066 0.92 BRD4 (0.70) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2538080 0.91 BRD4 (0.55) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2541824 0.90 BRD4 (0.54) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2541829 0.89 BRD4 (0.54) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2543487 0.88 BRD4 (0.51) BRD4BRDT
SCHEMBL2540750 0.88 BRD4 (0.58) BRD4BRDT
SCHEMBL3207165 0.86 BRD4 (0.73) BRD4BRD2BRDTADORA3TSPO
SCHEMBL2541090 0.84 BRD4 (0.57) BRD4BRDTADORA3TSPO
SCHEMBL2541095 0.84 BRD4 (0.57) BRD4BRDTADORA3TSPO

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-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed