SCHEMBL29469895

SCHEMBL29469895

Cc1cncc2cccc(S(=O)(=O)Cl)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.50
ROCK1 Q13464 9/20 0.50
PRKCD Q05655 5/20 0.49
PRKD3 O94806 4/20 0.49
PRKCZ Q05513 4/20 0.49
PRKACA P17612 3/20 0.49
PLK4 O00444 2/20 0.49
MARK3 P27448 2/20 0.49
PRKAA1 Q13131 2/20 0.49
PKN2 Q16513 2/20 0.49
MARK2 Q7KZI7 2/20 0.49
AURKB Q96GD4 2/20 0.49
PRKD2 Q9BZL6 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
AURKA O14965 1/20 0.49
DCLK1 O15075 1/20 0.49
PDPK1 O15530 1/20 0.49
MAP4K4 O95819 1/20 0.49
CHEK2 O96017 1/20 0.49

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
SCHEMBL2000333 1.00 ROCK2 (0.50) ROCK2ROCK1PRKCDPRKD3PRKCZ
SCHEMBL14256991 0.85 ROCK2 (0.51) ROCK2ROCK1PRKCDPRKD3PRKCZ
SCHEMBL12571556 0.83 ROCK2 (0.50) ROCK2ROCK1PRKCDPRKD3PRKCZ
SCHEMBL2001999 0.81 MAPT (0.41) ROCK2ROCK1PRKCDPRKD3PRKCZ
SCHEMBL2006560 0.80 ROCK2 (0.34) ROCK2ROCK1PRKCDPRKD3PRKCZ
SCHEMBL31537 0.80 ROCK2 (0.47) ROCK2ROCK1PRKCDPRKD3PRKCZ
Iodide SCHEMBL28700199 0.79 ROCK2 (0.46) ROCK2ROCK1PRKCDPRKD3PRKCZ
Bromide SCHEMBL28709695 0.79 ROCK2 (0.46) ROCK2ROCK1PRKCDPRKD3PRKCZ
Hydrochloric Acid SCHEMBL7823569 0.79 ROCK2 (0.33) ROCK2ROCK1PRKCDPRKD3PRKCZ
Hydrochloric Acid SCHEMBL999448 0.79 ROCK2 (0.47) ROCK2ROCK1PRKCDPRKD3PRKCZ

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-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed