SCHEMBL7327089

SCHEMBL7327089

CCCCCCN(C(CCC)CCCN)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.50
ROCK1 Q13464 10/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PRKD3 O94806 2/20 0.44
PRKCG P05129 2/20 0.44
PRKCB P05771 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
PRKCA P17252 2/20 0.44
NFKB1 P19838 2/20 0.44
PRKCH P24723 2/20 0.44
PRKCI P41743 2/20 0.44
PRKCE Q02156 2/20 0.44
PRKCQ Q04759 2/20 0.44
PRKCZ Q05513 2/20 0.44
PRKCD Q05655 2/20 0.44
PRKD1 Q15139 2/20 0.44
TP53 P04637 1/20 0.44
PRKACA P17612 1/20 0.44

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
SCHEMBL7328035 0.95 ROCK2 (0.51) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7325731 0.90 ROCK2 (0.52) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7317777 0.89 ROCK2 (0.53) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7327967 0.86 ROCK2 (0.49) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7319171 0.84 ROCK2 (0.48) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7328041 0.84 ROCK2 (0.53) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL7319180 0.84 ROCK2 (0.53) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL10496415 0.83 ROCK2 (0.44) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4729428 0.83 ROCK2 (0.56) ROCK2ROCK1MEN1KMT2APRKD3
SCHEMBL4727732 0.83 ROCK2 (0.56) ROCK2ROCK1MEN1KMT2APRKD3

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