SCHEMBL20135825

SCHEMBL20135825

CCOc1cc(=O)n(C)cc1-c1cc(CCN[SH](=O)=O)ccc1OC1CCC(F)(F)CC1

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.66

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
SCHEMBL20135813 0.91 BRD4 (0.53) BRD4
SCHEMBL20135850 0.86 BRD4 (0.49) BRD4
SCHEMBL20135840 0.85 BRD4 (0.47) BRD4
SCHEMBL20135854 0.84 BRD4 (0.48) BRD4
SCHEMBL20135826 0.83 BRD4 (0.49) BRD4
SCHEMBL15553603 0.82 BRD4 (0.71) BRD4
SCHEMBL20135834 0.82 BRD4 (0.47) BRD4
SCHEMBL19638600 0.79 BRD4 (0.67) BRD4
SCHEMBL15541387 0.79 BRD4 (1.00) BRD4
SCHEMBL15551601 0.79 BRD4 (0.67) 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