SCHEMBL28577798

SCHEMBL28577798

NCC(C(=O)Nc1cc2ccncc2s1)c1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.65
ROCK1 Q13464 8/20 0.53

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
SCHEMBL30744212 1.00 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL28577796 1.00 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL23501395 0.96 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL23501393 0.96 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL23927603 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL23927606 0.88 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL23522297 0.88 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL23521732 0.86 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL23963844 0.86 ROCK2 (0.61) ROCK2ROCK1
SCHEMBL23501342 0.85 ROCK2 (0.51) ROCK2ROCK1

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-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 CN disclosed
CN-112979675-A Small-molecule sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2021-06-18 CN disclosed