SCHEMBL20385259

SCHEMBL20385259

Bc1cc(O)c(=O)n(C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.39
BRD4 O60885 8/20 0.39
DAO P14920 1/20 0.36
APP P05067 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
AURKA O14965 1/20 0.30
TTK P33981 1/20 0.30
AURKB Q96GD4 1/20 0.30
INCENP Q9NQS7 1/20 0.30

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
SCHEMBL22516630 0.76 BRD4 (0.50) BRD4BRD9
SCHEMBL13456010 0.74 AURKA (0.49) BRD4BRD9AURKATTKAURKB
SCHEMBL16651268 0.74 BRD4 (0.39) TYRBRD4DAOL3MBTL1
SCHEMBL7257366 0.74 MEN1 (0.45) TYRBRD4DAOBRD9
SCHEMBL18508339 0.72 CREBBP (0.35) BRD4BRD9
SCHEMBL24556428 0.71 CREBBP (0.39) BRD4L3MBTL1BRD9
SCHEMBL24556434 0.71 BRD4 (0.36) BRD4BRD9
SCHEMBL24007175 0.68 QDPR (0.42) BRD4DAOBRD9
SCHEMBL13272808 0.68 GPR35 (0.43) L3MBTL1
SCHEMBL24120268 0.67 ESR1 (0.38) TYRBRD4DAO

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-2018130227-A1 AROMATIC RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USE 山东罗欣药业集团股份有限公司 2018-07-19 WO disclosed