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SCHEMBL2536396

SCHEMBL2536396

Cc1sc2c(c1C)C(c1ccc(NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 20/20 0.49
▸ BRDT Q58F21 4/20 0.47
▸ BRD2 P25440 2/20 0.47
▸ BRD3 Q15059 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ TSPO P30536 1/20 0.47
▸ DNER Q8NFT8 1/20 0.46
▸ HDAC1 Q13547 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
SCHEMBL2536392 1.00 BRD4 (0.49) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2536017 0.90 BRD4 (0.50) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2536019 0.90 BRD4 (0.50) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2539232 0.87 BRD4 (0.52) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2540433 0.87 BRD4 (0.57) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2539230 0.87 BRD4 (0.52) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2540436 0.87 BRD4 (0.57) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL3201321 0.86 BRD4 (0.69) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2540455 0.84 BRD4 (0.50) BRD4BRDTBRD2BRD3ADORA3
SCHEMBL2540460 0.84 BRD4 (0.50) BRD4BRDTBRD2BRD3ADORA3

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