SCHEMBL31457047

SCHEMBL31457047

CC(C)(C)OC(=O)NCc1cccc(-c2cn[nH]c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.53
▸ ROCK1 Q13464 6/20 0.53
▸ BRD4 O60885 1/20 0.50
▸ CREBBP Q92793 1/20 0.50
▸ ACACB O00763 1/20 0.49
▸ ACACA Q13085 1/20 0.49
▸ PRKACA P17612 3/20 0.48
▸ PRKACG P22612 3/20 0.48
▸ PRKACB P22694 3/20 0.48

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
SCHEMBL30751435 1.00 ROCK2 (0.53) ROCK2ROCK1BRD4CREBBPACACB
SCHEMBL29773324 0.86 BRD4 (0.49) ROCK2ROCK1BRD4CREBBPACACB
SCHEMBL30504293 0.86 HDAC1 (0.56) BRD4CREBBP
SCHEMBL18664426 0.83 HDAC1 (0.60) BRD4CREBBP
SCHEMBL27376908 0.82 ROCK2 (0.47) ROCK2ROCK1ACACBACACA
SCHEMBL30751397 0.82 ROCK2 (0.49) ROCK2ROCK1ACACBACACA
SCHEMBL27375085 0.82 ROCK2 (0.49) ROCK2ROCK1ACACBACACA
SCHEMBL31614327 0.82 ROCK2 (0.47) ROCK2ROCK1ACACBACACA
SCHEMBL29773322 0.82 BRD4 (0.52) BRD4CREBBPACACBACACA
SCHEMBL16410240 0.82 BRD4 (0.53) BRD4CREBBP

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
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
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