SCHEMBL2545758

SCHEMBL2545758

COc1ccc([C@H](C)O)cc1-c1ccc(C2=NC(C(C)C(=O)O)c3nnc(C)n3-c3sc(C)c(C)c32)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.48
ADORA3 P0DMS8 1/20 0.47
TSPO P30536 1/20 0.47
BRDT Q58F21 6/20 0.45
DNER Q8NFT8 1/20 0.44
BRD2 P25440 1/20 0.44

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
SCHEMBL2543295 0.91 BRD4 (0.51) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2539487 0.89 BRD4 (0.48) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2545318 0.89 BRD4 (0.56) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2537014 0.89 BRD4 (0.49) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2541410 0.88 BRD4 (0.55) BRD4ADORA3TSPOBRDT
SCHEMBL3200687 0.87 BRD4 (0.65) BRD4ADORA3TSPOBRDTDNER
SCHEMBL3200727 0.87 BRD4 (0.65) BRD4ADORA3TSPOBRDTDNER
SCHEMBL3200710 0.87 BRD4 (0.65) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2544064 0.85 BRD4 (0.51) BRD4ADORA3TSPOBRDTDNER
SCHEMBL2539756 0.84 BRD4 (0.49) BRD4ADORA3TSPOBRDTDNER

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