SCHEMBL7920192

SCHEMBL7920192

CC1NCCN(C(=N)N)C1S(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCE Q02156 4/20 0.37
▸ PRKCD Q05655 4/20 0.37
▸ PRKD1 Q15139 4/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKX P51817 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ PRKD3 O94806 3/20 0.36
▸ PRKCG P05129 3/20 0.36
▸ PRKCB P05771 3/20 0.36
▸ PRKCA P17252 3/20 0.36
▸ PRKCH P24723 3/20 0.36
▸ PRKCI P41743 3/20 0.36
▸ PRKCQ Q04759 3/20 0.36
▸ PRKCZ Q05513 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ PRKACA P17612 2/20 0.32
▸ PRKACG P22612 2/20 0.32
▸ PRKACB P22694 2/20 0.32

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
SCHEMBL2908979 0.73 CNR1 (0.38) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL2909759 0.72 CNR1 (0.50) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL2908972 0.72 CYP3A4 (0.64) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL2909739 0.69 ROCK2 (0.47) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL23795402 0.67 PRKCD (0.57) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL30439363 0.67 PRKCD (0.57) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL30439459 0.67 PRKCD (0.57) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL23795296 0.67 PRKCD (0.57) PRKCEPRKCDPRKD1ROCK2PRKX
SCHEMBL13513879 0.67 PRKCD (0.65) PRKCEPRKCDPRKD1ROCK2PRKX
Hydrochloric Acid SCHEMBL23795335 0.67 PRKCD (0.58) PRKCEPRKCDPRKD1ROCK2PRKX

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
US-6218410-B1 ADMINISTERING A PHARMACEUTICALLY EFFECTIVE AMOUNT OF A RHO KINASE INHIBITOR COMPRISING AMIDE COMPOUND FOR INHIBITING RHO KINASE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-04-17 — — US disclosed
Send feedback