SCHEMBL2544176

SCHEMBL2544176

Cc1sc2c(c1C)C(c1ccc(-c3ccnc(S(C)(=O)=O)n3)cc1)=N[C@@H](C(C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.48
BRDT Q58F21 8/20 0.46
DNER Q8NFT8 1/20 0.46
ADORA3 P0DMS8 1/20 0.44
TSPO P30536 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
SCHEMBL2544179 1.00 BRD4 (0.48) BRD4BRDTDNERADORA3TSPO
SCHEMBL2544227 0.86 BRD4 (0.49) BRD4BRDTDNERADORA3TSPO
SCHEMBL2544229 0.86 BRD4 (0.49) BRD4BRDTDNERADORA3TSPO
SCHEMBL2540394 0.86 BRD4 (0.53) BRD4BRDTDNERADORA3TSPO
SCHEMBL2538161 0.86 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2538155 0.86 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL3215768 0.85 BRD4 (0.69) BRD4BRDTDNERADORA3TSPO
SCHEMBL2535981 0.83 BRD4 (0.51) BRD4BRDTDNERADORA3TSPO
SCHEMBL2535984 0.83 BRD4 (0.51) BRD4BRDTDNERADORA3TSPO
SCHEMBL23320673 0.82 BRD4 (0.56) BRD4BRDTDNERADORA3TSPO

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