SCHEMBL7328994

SCHEMBL7328994

NN1CCCC(C(c2ccccc2)S(=O)(=O)c2cccc3c(O)nccc23)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ PRKX P51817 1/20 0.32
▸ PRKCE Q02156 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ FAP Q12884 1/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ COMT P21964 1/20 0.32
▸ TBXA2R P21731 1/20 0.31
▸ PTGDR Q13258 1/20 0.31
▸ CCR5 P51681 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL7316964 0.88 ROCK2 (0.33) GAAROCK2PRKXPRKCEPRKCD
SCHEMBL7321035 0.83 ROCK2 (0.35) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7319335 0.80 ROCK2 (0.35) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7360633 0.76 CHRM1 (0.38) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7320739 0.75 CHRM1 (0.40) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7325032 0.73 ROCK2 (0.36) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL7327003 0.70 ROCK2 (0.36) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL4725363 0.69 ROCK2 (0.48) ROCK2PRKXPRKCEPRKCDROCK1
SCHEMBL4729567 0.69 SMN1; SMN2 (0.42) GAAROCK2PRKXPRKCEPRKCD
SCHEMBL7323639 0.69 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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