SCHEMBL2536621

SCHEMBL2536621

Cc1csc2c1C(c1ccc(Cl)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.49
BRD2 P25440 3/20 0.48
DNER Q8NFT8 1/20 0.47
BRDT Q58F21 7/20 0.46
ADORA3 P0DMS8 1/20 0.45
TSPO P30536 1/20 0.45
BRD3 Q15059 1/20 0.43

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
SCHEMBL2536623 1.00 BRD4 (0.49) BRD4BRD2DNERBRDTADORA3
SCHEMBL30320654 0.85 BRD4 (0.69) BRD4BRD2DNERBRDTADORA3
SCHEMBL2541813 0.85 BRD4 (0.69) BRD4BRD2DNERBRDTADORA3
SCHEMBL2541816 0.85 BRD4 (0.69) BRD4BRD2DNERBRDTADORA3
SCHEMBL2540727 0.83 BRD4 (0.52) BRD4BRDT
SCHEMBL3187967 0.82 BRD4 (0.73) BRD4BRD2DNERBRDTADORA3
SCHEMBL2541090 0.81 BRD4 (0.57) BRD4DNERBRDTADORA3TSPO
SCHEMBL2541095 0.81 BRD4 (0.57) BRD4DNERBRDTADORA3TSPO
SCHEMBL2543303 0.81 BRD4 (0.60) BRD4BRD2DNERBRDTADORA3
SCHEMBL2543310 0.81 BRD4 (0.60) BRD4BRD2DNERBRDTADORA3

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