SCHEMBL2544064

SCHEMBL2544064

COc1ccc(-c2ccc(C3=N[C@@H](C(C)C(=O)O)c4nnc(C)n4-c4sc(C)c(C)c43)cc2)cc1CO

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.51
ADORA3 P0DMS8 1/20 0.49
TSPO P30536 1/20 0.49
BRD2 P25440 2/20 0.48
DNER Q8NFT8 1/20 0.47
BRDT Q58F21 5/20 0.46
BRD3 Q15059 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
SCHEMBL2541834 0.87 BRD4 (0.54) BRD4ADORA3TSPOBRDT
SCHEMBL2545318 0.86 BRD4 (0.56) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2535198 0.86 BRD4 (0.55) BRD4ADORA3TSPOBRD2DNER
SCHEMBL3215565 0.86 BRD4 (0.69) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2545758 0.85 BRD4 (0.48) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2539487 0.85 BRD4 (0.48) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2538080 0.85 BRD4 (0.55) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2542552 0.85 BRD4 (0.53) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2537014 0.85 BRD4 (0.49) BRD4ADORA3TSPOBRD2DNER
SCHEMBL2541410 0.84 BRD4 (0.55) BRD4ADORA3TSPOBRDT

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