SCHEMBL7318271

SCHEMBL7318271

O=S(=O)(c1cccc2c(Cl)nccc12)N1CCC(O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 5/20 0.46
PRKX P51817 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
COMT P21964 2/20 0.44
CYP3A4 P08684 2/20 0.43
NFKB1 P19838 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
MYLK Q15746 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7352432 0.93 CHRM1 (0.56) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL7317880 0.86 CHRM1 (0.54) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL5086408 0.84 CHRM1 (0.50) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL7312944 0.83 CHRM1 (0.53) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4730348 0.83 CHRM1 (0.53) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL2908180 0.82 ROCK2 (0.67) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL2909997 0.82 POLB (0.63) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL4727809 0.80 CHRM1 (0.51) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL2910435 0.80 CHRM1 (0.55) CHRM1SMN1; SMN2ROCK2ROCK1PRKX
SCHEMBL7326785 0.80 CHRM1 (0.52) CHRM1SMN1; SMN2ROCK2ROCK1PRKX

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