SCHEMBL28751128

SCHEMBL28751128

NC(=O)CCS(=O)(=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
POLB P06746 3/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LOX P28300 1/20 0.40
KAT6A Q92794 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
C1S P09871 1/20 0.39

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
SCHEMBL18503869 0.85 HTT (0.54) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL10002504 0.83 NPC1 (0.54) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL1379068 0.80 ALDH1A1 (0.48) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL4683020 0.79 NFE2L2 (0.53) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL4004512 0.79 NFE2L2 (0.53) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL18503870 0.79 KEAP1 (0.54) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL4685420 0.78 NFE2L2 (0.47) KEAP1NFE2L2POLBPKMNPC1
Hydrochloric Acid SCHEMBL3510149 0.77 NFE2L2 (0.51) KEAP1NFE2L2POLBPKMNPC1
Hydrochloric Acid SCHEMBL3510733 0.77 NFE2L2 (0.51) KEAP1NFE2L2POLBPKMNPC1
SCHEMBL4683019 0.77 NFE2L2 (0.58) KEAP1NFE2L2POLBPKMNPC1

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
CN-1432059-A Targeted moieties for use in blech catalysts UNILEVER PLC (NL) 2003-07-23 CN disclosed