SCHEMBL7318883

SCHEMBL7318883

CC1CCCN(S(=O)(=O)c2cccc3cnccc23)C1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 5/20 0.60
PRKCG P05129 5/20 0.60
PRKCB P05771 5/20 0.60
PRKCA P17252 5/20 0.60
PRKCH P24723 5/20 0.60
PRKCI P41743 5/20 0.60
PRKCE Q02156 5/20 0.60
PRKCQ Q04759 5/20 0.60
PRKCZ Q05513 5/20 0.60
PRKCD Q05655 5/20 0.60
PRKD1 Q15139 5/20 0.60
PRKACA P17612 4/20 0.60
PRKACG P22612 4/20 0.60
PRKACB P22694 4/20 0.60
CYP3A4 P08684 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP2D6 P10635 3/20 0.60
NFKB1 P19838 2/20 0.60
CYP2C19 P33261 2/20 0.60
MEN1 O00255 2/20 0.60

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
SCHEMBL4729656 0.89 PRKD3 (0.60) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL21545920 0.84 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL29968321 0.84 PRKD3 (0.69) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL7318744 0.84 ROCK2 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL16712961 0.80 CYP3A4 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL2455144 0.80 PRKCD (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4727206 0.79 ROCK2 (0.66) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4727733 0.78 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4728844 0.78 ROCK2 (0.62) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL23795295 0.78 PRKCD (0.88) PRKD3PRKCGPRKCBPRKCAPRKCH

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