SCHEMBL8713663

SCHEMBL8713663

COc1ccccc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
PIK3CD O00329 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC40A1 Q9NP59 2/20 0.56
GLO1 Q04760 1/20 0.56
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.54
PTGS1 P23219 1/20 0.53
MAPT P10636 1/20 0.52

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
SCHEMBL3380247 0.83 POLB (0.68) MEN1KMT2ASLC40A1ALDH1A1HTT
SCHEMBL790693 0.81 SLC40A1 (0.59) KEAP1NFE2L2MEN1KMT2ASLC40A1
SCHEMBL27179845 0.79 NCOA1 (0.76) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL789616 0.76 KEAP1 (0.72) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL7572319 0.76 POLB (0.68) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL7571620 0.76 POLB (0.68) KEAP1NFE2L2MEN1KMT2AALDH1A1
SCHEMBL28451894 0.76 SLC22A12 (0.74) SLC40A1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9954104 0.75 GAA (0.81) KEAP1NFE2L2MEN1KMT2ASLC40A1
SCHEMBL789565 0.75 PIK3CA (0.57) KEAP1NFE2L2PIK3CDSLC40A1GLO1
SCHEMBL2835167 0.75 POLB (0.66) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed
EP-0661266-A1 Substituted cyclic amine compounds as 5HT2 antagonists TOA EIYO LTD. (JP) 1995-07-05 EP disclosed