SCHEMBL2542012

SCHEMBL2542012

Cc1c(CO)sc2c1C(c1ccc(N(C)c3c(F)cc(F)cc3F)cc1)=NC([C@H](C)C(=O)O)c1nnc(C)n1-2

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 18/20 0.54
BRDT Q58F21 9/20 0.41
DNER Q8NFT8 1/20 0.38

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
SCHEMBL2542006 1.00 BRD4 (0.54) BRD4BRDTDNER
SCHEMBL2545008 0.92 BRD4 (0.56) BRD4BRDTDNER
SCHEMBL2543538 0.92 BRD4 (0.51) BRD4BRDTDNER
SCHEMBL2541102 0.87 BRD4 (0.72) BRD4BRDT
SCHEMBL2541097 0.87 BRD4 (0.72) BRD4BRDT
SCHEMBL3200582 0.86 BRD4 (0.65) BRD4BRDTDNER
SCHEMBL2538956 0.84 BRD4 (0.60) BRD4BRDT
SCHEMBL2538951 0.84 BRD4 (0.60) BRD4BRDT
SCHEMBL2541824 0.84 BRD4 (0.54) BRD4BRDT
SCHEMBL2541095 0.83 BRD4 (0.57) BRD4BRDTDNER

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