SCHEMBL7319331

SCHEMBL7319331

CCCC(CCS(=O)(=O)c1cccc2c(O)nccc12)C1CCCCN1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.35
▸ ROCK1 Q13464 4/20 0.35
▸ PER2 O15055 1/20 0.32
▸ CRY1 Q16526 1/20 0.32
▸ CRY2 Q49AN0 1/20 0.32
▸ SLC6A9 P48067 3/20 0.32
▸ COMT P21964 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ PRKX P51817 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ PRKD1 Q15139 1/20 0.31
▸ PREP P48147 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ APEX1 P27695 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
SCHEMBL7323632 0.89 CHRM1 (0.36) ROCK2ROCK1PER2CRY1CRY2
SCHEMBL7321031 0.78 APEX1 (0.33) ROCK2ROCK1SLC6A9COMTALDH1A1
SCHEMBL7327003 0.70 ROCK2 (0.36) ROCK2ROCK1COMTPRKXPRKCE
SCHEMBL7321035 0.69 ROCK2 (0.35) ROCK2ROCK1SLC6A9ALDH1A1PRKX
SCHEMBL7325032 0.68 ROCK2 (0.36) ROCK2ROCK1SLC6A9COMTALDH1A1
SCHEMBL7319335 0.68 ROCK2 (0.35) ROCK2ROCK1ALDH1A1PRKXPRKCE
SCHEMBL7321039 0.66 COMT (0.40) ROCK2ROCK1COMTPRKXPRKCE
SCHEMBL7328966 0.65 ALDH1A1 (0.41) ROCK2ROCK1COMTALDH1A1PRKX
SCHEMBL9617966 0.65 SMN1; SMN2 (0.67) ROCK2ROCK1COMTALDH1A1PRKX
SCHEMBL4725363 0.65 ROCK2 (0.48) ROCK2ROCK1COMTALDH1A1PRKX

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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