SCHEMBL19638716

SCHEMBL19638716

Cn1cc(-c2cc(CCN[SH](=O)=O)ccc2Oc2ccc(F)cc2F)c2c(CN3CCOCC3)c[nH]c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69

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
SCHEMBL19638717 0.93 BRD4 (0.68) BRD4
SCHEMBL19638505 0.82 BRD4 (0.66) BRD4
SCHEMBL15069504 0.82 BRD4 (1.00) BRD4
SCHEMBL20135849 0.80 BRD4 (0.55) BRD4
SCHEMBL19638622 0.78 BRD4 (0.69) BRD4
SCHEMBL19638562 0.76 BRD4 (0.71) BRD4
SCHEMBL20135874 0.76 BRD4 (0.48) BRD4
SCHEMBL15069192 0.74 BRD4 (1.00) BRD4
SCHEMBL19638634 0.74 BRD4 (0.67) BRD4
SCHEMBL20135863 0.73 BRD4 (0.59) 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