SCHEMBL10316933

SCHEMBL10316933

CC(C)(C)OC(=O)NCc1ccnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.34
BRD9 Q9H8M2 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
BRD4 O60885 1/20 0.33
F2 P00734 3/20 0.32
KEAP1 Q14145 4/20 0.32
NFE2L2 Q16236 4/20 0.32
ALDH1A1 P00352 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GAA P10253 1/20 0.32
NAMPT P43490 1/20 0.32
MAPK8 P45983 1/20 0.32

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
SCHEMBL13390674 0.95 BRD9 (0.33) ROCK1BRD9BAZ2BBAZ2ABRD4
SCHEMBL3300310 0.86 BRD9 (0.33) ROCK1BRD9BAZ2BBAZ2ABRD4
SCHEMBL13409590 0.85 PKM (0.33) IRAK4
SCHEMBL13391273 0.84 F2 (0.34) ROCK1F2KEAP1NFE2L2ALDH1A1
SCHEMBL13390456 0.83 NR1H2 (0.32) KEAP1NFE2L2
SCHEMBL10316932 0.83 F2 (0.34) F2KEAP1NFE2L2
SCHEMBL3302859 0.82 KEAP1 (0.35) ROCK1F2KEAP1NFE2L2ALDH1A1
SCHEMBL10317092 0.82 IRAK4 (0.33) BRD4F2KEAP1NFE2L2ALDH1A1
SCHEMBL3304036 0.82 KEAP1 (0.41) ROCK1KEAP1NFE2L2
SCHEMBL3297315 0.82 KDM4C (0.34)

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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed