SCHEMBL7315948

SCHEMBL7315948

O=C1CCN(S(=O)(=O)c2cccc3cnccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 4/20 0.74
PRKCG P05129 4/20 0.74
PRKCB P05771 4/20 0.74
CYP3A4 P08684 4/20 0.74
PRKCA P17252 4/20 0.74
PRKCH P24723 4/20 0.74
PRKCI P41743 4/20 0.74
PRKCE Q02156 4/20 0.74
PRKCQ Q04759 4/20 0.74
PRKCZ Q05513 4/20 0.74
PRKCD Q05655 4/20 0.74
PRKD1 Q15139 4/20 0.74
PRKACA P17612 3/20 0.74
PRKACG P22612 3/20 0.74
PRKACB P22694 3/20 0.74
ADORA3 P0DMS8 2/20 0.74
CYP2C19 P33261 2/20 0.74
KDM4E B2RXH2 1/20 0.74
CYP1A2 P05177 1/20 0.74
ROCK2 O75116 12/20 0.67

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
SCHEMBL7317462 0.92 PRKD3 (0.67) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL10988523 0.89 ROCK2 (0.79) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL29770053 0.87 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL10985139 0.87 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL6916059 0.87 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL26584304 0.87 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
Hydrochloric Acid SCHEMBL9617961 0.86 ROCK2 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL16712975 0.86 PRKD3 (0.77) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL5880488 0.85 PRKD3 (0.72) PRKD3PRKCGPRKCBCYP3A4PRKCA
SCHEMBL1272907 0.85 PRKD3 (1.00) PRKD3PRKCGPRKCBCYP3A4PRKCA

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 3 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
US-4798897-A (AMINOALKYL)AMINOSULFONYL-SUBSTITUTED CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-01-17 US disclosed
EP-0287696-A1 Isoquinoline derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1988-10-26 EP disclosed