SCHEMBL9398259

SCHEMBL9398259

CC(NS(=O)(=O)c1cccc2cnccc12)N1CCCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 7/20 0.61
PRKCG P05129 7/20 0.61
PRKCB P05771 7/20 0.61
PRKCA P17252 7/20 0.61
PRKCH P24723 7/20 0.61
PRKCI P41743 7/20 0.61
PRKCE Q02156 7/20 0.61
PRKCQ Q04759 7/20 0.61
PRKCZ Q05513 7/20 0.61
PRKCD Q05655 7/20 0.61
PRKD1 Q15139 7/20 0.61
ROCK2 O75116 6/20 0.61
CYP3A4 P08684 6/20 0.61
PRKACA P17612 5/20 0.61
PRKACG P22612 5/20 0.61
PRKACB P22694 5/20 0.61
ROCK1 Q13464 5/20 0.61
CYP2D6 P10635 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 4/20 0.61

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
SCHEMBL9397203 0.96 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL9397269 0.81 ROCK2 (0.58) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL9397299 0.80 CYP3A4 (0.56) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8912773 0.78 PRKD3 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL10553061 0.77 PRKD3 (0.52) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8913820 0.77 PRKD3 (0.53) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL9541267 0.76 PRKD3 (0.61) PRKD3PRKCGPRKCBPRKCAPRKCH
Fasudil SCHEMBL6269832 0.76 ROCK2 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
Fasudil SCHEMBL29362990 0.76 ROCK2 (1.00) PRKD3PRKCGPRKCBPRKCAPRKCH
Fasudil SCHEMBL29381868 0.76 ROCK2 (1.00) 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
US-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP disclosed