SCHEMBL7327006

SCHEMBL7327006

CC1CCN(S(=O)(=O)c2cccc3c(O)nccc23)C1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.39
▸ ROCK1 Q13464 5/20 0.39
▸ PRKCE Q02156 4/20 0.39
▸ PRKCD Q05655 4/20 0.39
▸ PRKD1 Q15139 4/20 0.39
▸ PRKX P51817 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ PRKD3 O94806 3/20 0.38
▸ PRKCG P05129 3/20 0.38
▸ PRKCB P05771 3/20 0.38
▸ PRKCA P17252 3/20 0.38
▸ PRKCH P24723 3/20 0.38
▸ PRKCI P41743 3/20 0.38
▸ PRKCQ Q04759 3/20 0.38
▸ PRKCZ Q05513 3/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ PRKACG P22612 2/20 0.38
▸ PRKACB P22694 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38

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
SCHEMBL7327666 0.86 CHRM1 (0.46) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7325041 0.80 ROCK2 (0.36) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7321039 0.80 COMT (0.40) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL5083072 0.80 ROCK2 (0.49) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7324789 0.79 COMT (0.43) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7317797 0.78 COMT (0.37) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL4728648 0.78 ROCK2 (0.45) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL13513879 0.77 PRKCD (0.65) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7329002 0.77 COMT (0.52) ROCK2ROCK1PRKCEPRKCDPRKD1
SCHEMBL7316968 0.77 COMT (0.46) SMN1; SMN2MEN1KMT2AALDH1A1COMT

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
EP-0287696-B1 ISOQUINOLINE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1991-01-02 — — EP disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 — — EP disclosed
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