SCHEMBL4240689

SCHEMBL4240689

O=C(O)CN(c1ccc2cc(C(=O)NCCO)ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KEAP1 Q14145 10/20 0.40
NFE2L2 Q16236 10/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP4 P15090 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4232855 0.88 KEAP1 (0.39) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL1110442 0.87 RORC (0.45) KEAP1NFE2L2
SCHEMBL12116672 0.87 NR1H4 (0.47) POLBHPGDHTTALDH1A1CA12
SCHEMBL12115528 0.86 HPGD (0.39) POLBHPGDHTTTRPM8CA12
SCHEMBL1110478 0.84 GPR27 (0.47) HTTKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL1317802 0.84 KEAP1 (0.43) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL4236968 0.82 KEAP1 (0.40) KEAP1NFE2L2ALDH1A1L3MBTL1
SCHEMBL1110353 0.82 OXTR (0.41) HTTKEAP1NFE2L2ALDH1A1CA12
SCHEMBL13658806 0.82 KEAP1 (0.46) KEAP1NFE2L2
SCHEMBL3299971 0.80 ROCK1 (0.41) POLBHPGDHTTKEAP1NFE2L2

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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO disclosed