SCHEMBL30439363

SCHEMBL30439363

CC1CNCCCN1S(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCD Q05655 6/20 0.57
▸ PRKACA P17612 5/20 0.57
▸ PRKD3 O94806 4/20 0.57
▸ PRKACG P22612 4/20 0.57
▸ PRKACB P22694 4/20 0.57
▸ PRKCZ Q05513 4/20 0.57
▸ PRKCE Q02156 4/20 0.57
▸ PRKD1 Q15139 4/20 0.57
▸ CYP3A4 P08684 4/20 0.57
▸ CYP2D6 P10635 4/20 0.57
▸ PRKCG P05129 3/20 0.57
▸ PRKCB P05771 3/20 0.57
▸ PRKCA P17252 3/20 0.57
▸ PRKCH P24723 3/20 0.57
▸ PRKCI P41743 3/20 0.57
▸ PRKCQ Q04759 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ TP53 P04637 3/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ MAPK1 P28482 3/20 0.57

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
SCHEMBL23795402 1.00 PRKCD (0.57) PRKCDPRKACAPRKD3PRKACGPRKACB
SCHEMBL23795296 1.00 PRKCD (0.57) PRKCDPRKACAPRKD3PRKACGPRKACB
SCHEMBL30439459 1.00 PRKCD (0.57) PRKCDPRKACAPRKD3PRKACGPRKACB
Hydrochloric Acid SCHEMBL23795335 0.99 PRKCD (0.58) PRKCDPRKACAPRKD3PRKACGPRKACB
Hydrochloric Acid SCHEMBL23795390 0.99 PRKCD (0.58) PRKCDPRKACAPRKD3PRKACGPRKACB
Hydrochloric Acid SCHEMBL30439323 0.99 PRKCD (0.58) PRKCDPRKACAPRKD3PRKACGPRKACB
Hydrochloric Acid SCHEMBL30438942 0.99 PRKCD (0.58) PRKCDPRKACAPRKD3PRKACGPRKACB
SCHEMBL13513879 0.94 PRKCD (0.65) PRKCDPRKACAPRKD3PRKACGPRKACB
SCHEMBL19350236 0.87 PRKCD (0.57) PRKCDPRKACAPRKD3PRKACGPRKACB
SCHEMBL29385240 0.87 ROCK1 (0.58) PRKCDPRKACAPRKD3PRKACGPRKACB

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-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 claimed
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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