SCHEMBL19638565

SCHEMBL19638565

Cn1nc(-c2cc(CN[SH](=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.67

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
SCHEMBL19638610 0.85 BRD4 (0.69) BRD4
SCHEMBL19638582 0.84 BRD4 (0.75) BRD4
SCHEMBL15069608 0.81 BRD4 (0.77) BRD4
SCHEMBL15067158 0.80 BRD4 (1.00) BRD4
SCHEMBL15069579 0.80 BRD4 (1.00) BRD4
SCHEMBL15069588 0.78 BRD4 (0.71) BRD4
SCHEMBL19638590 0.77 BRD4 (0.67) BRD4
Ethoxycarbonyl Group SCHEMBL27990760 0.77 BRD4 (0.67) BRD4
SCHEMBL19638444 0.77 BRD4 (0.68) BRD4
Ethoxycarbonyl Group SCHEMBL27990712 0.76 BRD4 (0.64) 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