SCHEMBL27991002

SCHEMBL27991002

Cn1cc(-c2cc(NC[SH](=O)=O)ccc2Oc2ccccc2)c2cc(C(N)=O)[nH]c2c1=O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.73
HDAC6 Q9UBN7 5/20 0.52
HDAC1 Q13547 6/20 0.51

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
SCHEMBL27991139 0.93 BRD4 (0.73) BRD4HDAC6HDAC1
SCHEMBL27991025 0.90 BRD4 (0.76) BRD4HDAC6HDAC1
SCHEMBL27991000 0.85 BRD4 (0.74) BRD4
SCHEMBL15069664 0.85 BRD4 (1.00) BRD4
SCHEMBL27990743 0.81 BRD4 (0.72) BRD4HDAC6HDAC1
SCHEMBL28815231 0.78 BRD4 (0.73) BRD4
SCHEMBL15069145 0.78 BRD4 (1.00) BRD4
SCHEMBL25200280 0.77 BRD4 (0.72) BRD4
SCHEMBL27991011 0.77 BRD4 (0.55) BRD4
SCHEMBL19638491 0.77 BRD4 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104136435-A BROMODOMAIN INHIBITORS ABBVIE INC 2014-11-05 CN claimed
CN-104136435-A BROMODOMAIN INHIBITORS ABBVIE INC 2014-11-05 CN disclosed