SCHEMBL20135862

SCHEMBL20135862

C/C=C/c1cc(=O)n(C)cc1-c1cc(CCN[SH](=O)=O)ccc1Oc1ccc(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.49

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
SCHEMBL20135848 0.84 BRD4 (0.53) BRD4
SCHEMBL20135816 0.83 BRD4 (0.63) BRD4
SCHEMBL20135838 0.83 BRD4 (0.46) BRD4
SCHEMBL20135837 0.82 BRD4 (0.65) BRD4
SCHEMBL20135818 0.81 BRD4 (0.64) BRD4
SCHEMBL20135876 0.81 BRD4 (0.49) BRD4
SCHEMBL20135815 0.81 BRD4 (0.48) BRD4
SCHEMBL20135882 0.81 BRD4 (0.47) BRD4
SCHEMBL20135859 0.81 BRD4 (0.47) BRD4
SCHEMBL20135855 0.81 BRD4 (0.49) 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