SCHEMBL18784237

SCHEMBL18784237

COc1c(-c2cnco2)ccc(CS(=O)(=O)c2ccccc2)c1C(O)C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.42
AAK1 Q2M2I8 11/20 0.38
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL18801288 0.89 IMPDH2 (0.40) IMPDH2AAK1ROCK2ROCK1
SCHEMBL18784238 0.84 AAK1 (0.41) IMPDH2AAK1ROCK2ROCK1
SCHEMBL1648368 0.82 IMPDH2 (0.43) IMPDH2AAK1ROCK2ROCK1
SCHEMBL1648147 0.78 IMPDH2 (0.42) IMPDH2AAK1ROCK2ROCK1
SCHEMBL1648736 0.74 IMPDH2 (0.37) IMPDH2AAK1ROCK2ROCK1
SCHEMBL1648257 0.68 EDNRA (0.51) IMPDH2AAK1
SCHEMBL18784217 0.68 GBA1 (0.34)
SCHEMBL1649016 0.66 METAP2 (0.47)
SCHEMBL1647744 0.66 KMT2A (0.47)
SCHEMBL15741596 0.64 IMPDH2 (0.74) IMPDH2AAK1ROCK2ROCK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP claimed