SCHEMBL19638635

SCHEMBL19638635

Cn1cc(-c2cc(CN[SH](=O)=O)ccc2Oc2ccccc2C(F)(F)F)c2cc[nH]c2c1=O

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.78

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
SCHEMBL19638582 0.86 BRD4 (0.75) BRD4
SCHEMBL19638638 0.86 BRD4 (0.68) BRD4
SCHEMBL19638706 0.85 BRD4 (0.72) BRD4
SCHEMBL19638551 0.84 BRD4 (0.67) BRD4
SCHEMBL19638494 0.84 BRD4 (0.68) BRD4
SCHEMBL15069301 0.82 BRD4 (0.72) BRD4
SCHEMBL19638607 0.82 BRD4 (0.67) BRD4
SCHEMBL19638509 0.82 BRD4 (0.73) BRD4
SCHEMBL15067558 0.81 BRD4 (1.00) BRD4
SCHEMBL19638621 0.81 BRD4 (0.68) 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-2797918-B1 BROMODOMAIN INHIBITORS ABBVIE INC (US) 2017-11-29 EP claimed