SCHEMBL19638545

SCHEMBL19638545

Cn1cc(-c2ccccc2Oc2ccccc2)c2cc(C(=O)O)n(C)c2c1=O

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.82
HDAC6 Q9UBN7 5/20 0.47
HDAC1 Q13547 4/20 0.46

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
SCHEMBL15069348 0.90 BRD4 (1.00) BRD4HDAC6HDAC1
SCHEMBL27990765 0.84 BRD4 (0.68) BRD4HDAC6HDAC1
SCHEMBL28514566 0.82 BRD4 (0.60) BRD4HDAC6HDAC1
SCHEMBL28514563 0.81 BRD4 (0.59) BRD4HDAC6HDAC1
SCHEMBL17879721 0.80 BRD4 (0.54) BRD4
SCHEMBL15069429 0.79 BRD4 (0.64) BRD4HDAC6HDAC1
SCHEMBL19638633 0.76 BRD4 (0.82) BRD4HDAC6HDAC1
SCHEMBL28496030 0.76 BRD4 (0.70) BRD4HDAC6HDAC1
SCHEMBL30306234 0.76 BRD4 (0.70) BRD4HDAC6HDAC1
SCHEMBL28496028 0.75 BRD4 (0.69) BRD4HDAC6HDAC1

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