SCHEMBL20135822

SCHEMBL20135822

CCOc1cc(=O)n(C)cc1-c1cc(CCN[SH](=O)=O)ccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.63

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
SCHEMBL20135860 0.92 BRD4 (0.53) BRD4
SCHEMBL20135877 0.91 BRD4 (0.62) BRD4
SCHEMBL20135857 0.89 BRD4 (0.62) BRD4
SCHEMBL20135841 0.88 BRD4 (0.53) BRD4
SCHEMBL20135865 0.87 BRD4 (0.64) BRD4
SCHEMBL20135878 0.87 BRD4 (0.53) BRD4
SCHEMBL20135846 0.83 BRD4 (0.64) BRD4
SCHEMBL20135823 0.82 BRD4 (0.52) BRD4
SCHEMBL20135870 0.82 BRD4 (0.51) BRD4
SCHEMBL20135817 0.82 BRD4 (0.58) BRD4

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
EP-2858990-B1 PYRIDINONE AND PYRIDAZINONE DERIVATIVES ABBVIE INC (US) 2018-05-16 EP claimed