SCHEMBL10318853

SCHEMBL10318853

CCN(C(=O)c1ccnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)c1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 12/20 0.33
NFE2L2 Q16236 12/20 0.33
F2 P00734 4/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL3299977 0.91 KEAP1 (0.34) KEAP1NFE2L2F2LMNAPOLB
SCHEMBL3297803 0.90 KEAP1 (0.35) KEAP1NFE2L2F2
SCHEMBL10317260 0.89 KEAP1 (0.33) KEAP1NFE2L2F2HCRTR2MAPT
SCHEMBL3302993 0.89 KEAP1 (0.36) KEAP1NFE2L2F2
SCHEMBL3300833 0.88 KEAP1 (0.36) KEAP1NFE2L2F2
SCHEMBL3297441 0.88 KEAP1 (0.35) KEAP1NFE2L2F2
SCHEMBL3299475 0.88 KDM4C (0.37) KEAP1NFE2L2F2
SCHEMBL3299234 0.86 KDM5A (0.37) KEAP1NFE2L2LMNAMAPT
SCHEMBL3300257 0.86 ROCK1 (0.36) KEAP1NFE2L2F2
SCHEMBL10317933 0.85 HCRTR2 (0.35) KEAP1NFE2L2LMNAPOLBHCRTR2

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