SCHEMBL30438739

SCHEMBL30438739

CC1CNCCCN1S(=O)(=O)c1cccc2c(O)ncc(Cl)c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.59
▸ ROCK2 O75116 6/20 0.59
▸ PRKCD Q05655 5/20 0.59
▸ PRKACA P17612 4/20 0.59
▸ PRKD3 O94806 3/20 0.59
▸ PRKCZ Q05513 3/20 0.59
▸ PRKACG P22612 3/20 0.59
▸ PRKACB P22694 3/20 0.59
▸ MYLK Q15746 3/20 0.59
▸ PLK4 O00444 2/20 0.59
▸ MARK3 P27448 2/20 0.59
▸ PRKAA1 Q13131 2/20 0.59
▸ PKN2 Q16513 2/20 0.59
▸ MARK2 Q7KZI7 2/20 0.59
▸ AURKB Q96GD4 2/20 0.59
▸ PRKD2 Q9BZL6 2/20 0.59
▸ PRKX P51817 2/20 0.59
▸ AURKA O14965 1/20 0.59
▸ DCLK1 O15075 1/20 0.59
▸ PDPK1 O15530 1/20 0.59

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
SCHEMBL23795325 1.00 ROCK1 (0.59) ROCK1ROCK2PRKCDPRKACAPRKD3
SCHEMBL30439140 1.00 ROCK1 (0.59) ROCK1ROCK2PRKCDPRKACAPRKD3
SCHEMBL23795327 1.00 ROCK1 (0.59) ROCK1ROCK2PRKCDPRKACAPRKD3
Sulfuric Acid SCHEMBL23795315 0.98 ROCK1 (0.57) ROCK1ROCK2PRKCDPRKACAPRKD3
Sulfuric Acid SCHEMBL23795362 0.98 ROCK1 (0.57) ROCK1ROCK2PRKCDPRKACAPRKD3
Hydrochloric Acid SCHEMBL6970608 0.88 ROCK2 (0.67) ROCK1ROCK2PRKCDPRKACAPRKD3
Hydrochloric Acid SCHEMBL6970600 0.88 ROCK2 (0.67) ROCK1ROCK2PRKCDPRKACAPRKD3
SCHEMBL23795376 0.88 ROCK2 (0.68) ROCK1ROCK2PRKCDPRKACAPRKD3
SCHEMBL23795409 0.88 ROCK2 (0.68) ROCK1ROCK2PRKCDPRKACAPRKD3
SCHEMBL30438995 0.88 ROCK2 (0.68) ROCK1ROCK2PRKCDPRKACAPRKD3

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-111116555-B Rho kinase inhibitor and preparation method and application thereof 北京盈科瑞创新药物研究有限公司 2023-06-02 — — CN disclosed
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