SCHEMBL7322591

SCHEMBL7322591

CCCCCCN(C(CCCC)COS(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.45
ROCK1 Q13464 9/20 0.45
P2RX7 Q99572 6/20 0.39
NR3C1 P04150 1/20 0.35
FLT3 P36888 1/20 0.35
F2 P00734 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PRKCA P17252 1/20 0.35
NFKB1 P19838 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35

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
SCHEMBL10496415 0.90 ROCK2 (0.44) ROCK2ROCK1P2RX7FLT3F2
SCHEMBL7326031 0.90 ROCK2 (0.46) ROCK2ROCK1P2RX7NR3C1FLT3
SCHEMBL7321636 0.86 ROCK2 (0.46) ROCK2ROCK1P2RX7NR3C1FLT3
SCHEMBL7320136 0.86 ROCK2 (0.44) ROCK2ROCK1P2RX7NR3C1F2
SCHEMBL7316438 0.84 ROCK2 (0.48) ROCK2ROCK1P2RX7FLT3F2
SCHEMBL7327226 0.84 ROCK2 (0.48) ROCK2ROCK1P2RX7FLT3F2
SCHEMBL7319421 0.84 ROCK2 (0.48) ROCK2ROCK1P2RX7FLT3F2
SCHEMBL10496402 0.84 ROCK2 (0.48) ROCK2ROCK1P2RX7FLT3F2
SCHEMBL7327967 0.82 ROCK2 (0.49) ROCK2ROCK1P2RX7FLT3PRKD3
SCHEMBL7325731 0.82 ROCK2 (0.52) ROCK2ROCK1P2RX7FLT3PRKD3

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