SCHEMBL2543541

SCHEMBL2543541

Cc1sc2c(c1C)C(c1ccc(-c3cccc(S(C)(=O)=O)c3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.51
DNER Q8NFT8 1/20 0.46
BRDT Q58F21 5/20 0.45
ADORA3 P0DMS8 1/20 0.45
TSPO P30536 1/20 0.45
BRD2 P25440 2/20 0.45

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
SCHEMBL2540394 0.92 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2535203 0.91 BRD4 (0.57) BRD4BRDTADORA3TSPOBRD2
SCHEMBL2535204 0.91 BRD4 (0.57) BRD4BRDTADORA3TSPOBRD2
SCHEMBL2542128 0.88 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2539761 0.88 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2541162 0.88 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2534315 0.87 BRD4 (0.52) BRD4DNERBRDTADORA3TSPO
SCHEMBL2542061 0.86 BRD4 (0.68) BRD4DNERBRDT
SCHEMBL2539562 0.86 BRD4 (0.53) BRD4DNERBRDTADORA3TSPO
SCHEMBL2538080 0.86 BRD4 (0.55) BRD4DNERBRDTADORA3TSPO

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