SCHEMBL19456136

SCHEMBL19456136

CNC(=O)c1cc(C(=O)NCCC2CCNCC2)cc2c1OC(CO)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.46
▸ ITGA2B P08514 6/20 0.46
▸ BRD4 O60885 7/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ CHRM1 P11229 1/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.37
▸ LCK P06239 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35

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
SCHEMBL19456128 0.83 BRD4 (0.42) ITGB3ITGA2BBRD4ROCK2
SCHEMBL21649797 0.83 BRD4 (0.43) BRD4
SCHEMBL19456310 0.82 BRD4 (0.49) BRD4MAPK14
SCHEMBL19456189 0.82 MAPT (0.41) BRD4MAPK14
SCHEMBL19456152 0.81 BRD4 (0.50) BRD4
SCHEMBL19456175 0.79 BRD4 (0.46) BRD4
SCHEMBL19456350 0.79 BRD4 (0.41) BRD4LCKKITSRCMAPK14
SCHEMBL19456093 0.79 BRD4 (0.39) BRD4
SCHEMBL19456090 0.77 BRD4 (0.36) BRD4
SCHEMBL19456134 0.75 BRD4 (0.66) ITGB3ITGA2BBRD4

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
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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