SCHEMBL9569294

SCHEMBL9569294

CCN(CC)C(=O)c1ccc[n+]([O-])c1S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HSP90AA1 P07900 4/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAD52 P43351 1/20 0.39
APAF1 O14727 1/20 0.39
USP2 O75604 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSP90AB1 P08238 2/20 0.38

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
SCHEMBL9569286 0.81 KMT2A (0.43) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL29822323 0.74 TP53 (0.69) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL610480 0.74 TP53 (0.69) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL943660 0.74 KEAP1 (0.57) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL7504711 0.73 HPGD (0.45) KEAP1TSHRHPGDALDH1A1MAPT
Hydrochloric Acid SCHEMBL3622868 0.72 KEAP1 (0.41) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL9569306 0.72 KDM4E (0.42) KEAP1TSHRHPGDALDH1A1MAPT
SCHEMBL27608734 0.70 TP53 (0.53) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL9359025 0.69 KEAP1 (0.48) KEAP1TP53TSHRMAPK1HPGD
SCHEMBL8778092 0.69 MEN1 (0.56) HPGDALDH1A1MAPTHSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532058-A1 Process for preparing halogenosulfonyl-substituted pyridine compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 1993-03-17 EP disclosed
US-5128474-A Herbicides ISHIHARA SANGYO KAISHA LTD. (JP) 1992-07-07 US disclosed
EP-0298752-A2 Mercapto-substituted pyridine compounds and process for preparing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1989-01-11 EP disclosed