SCHEMBL19456128

SCHEMBL19456128

CNC(=O)c1cc(C(=O)NCCCC2CCNCC2)cc2c1OC(C)C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 10/20 0.42
▸ ITGB3 P05106 4/20 0.39
▸ ITGA2B P08514 4/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL19456111 0.85 BRD4 (0.37) BRD4
SCHEMBL21649796 0.84 BRD4 (0.48) BRD4
SCHEMBL19456136 0.83 ITGB3 (0.46) BRD4ITGB3ITGA2BROCK2
SCHEMBL19456220 0.83 BRD4 (0.57) BRD4
SCHEMBL21649801 0.82 BRD4 (0.50) BRD4
SCHEMBL19456155 0.81 BRD4 (0.45) BRD4
SCHEMBL19456311 0.81 BRD4 (0.44) BRD4NAMPT
SCHEMBL19456341 0.81 BRD4 (0.40) BRD4
SCHEMBL19456232 0.79 BRD4 (0.54) BRD4
SCHEMBL19456213 0.79 BRD4 (0.43) BRD4NAMPT

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
EP-3440075-B1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-01-29 — — EP disclosed
WO-2017174620-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-10-12 — — WO disclosed
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