SCHEMBL7325032

SCHEMBL7325032

CCC(C1CCN(N)CC1)S(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.36
▸ ROCK1 Q13464 8/20 0.36
▸ PRKX P51817 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ COMT P21964 1/20 0.32
▸ HTR7 P34969 5/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SLC6A9 P48067 3/20 0.31
▸ NSD2 O96028 1/20 0.31

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
SCHEMBL7321035 0.89 ROCK2 (0.35) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7316964 0.82 ROCK2 (0.33) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7319335 0.80 ROCK2 (0.35) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7327003 0.74 ROCK2 (0.36) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7328994 0.73 GAA (0.33) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7360633 0.69 CHRM1 (0.38) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL5083072 0.69 ROCK2 (0.49) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7327006 0.69 ROCK2 (0.39) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL5086217 0.69 SMN1; SMN2 (0.46) ROCK2ROCK1PRKXPRKCEPRKCD
SCHEMBL7323639 0.68 CHRM1 (0.36) ROCK2ROCK1HTR7

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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