SCHEMBL9426438

SCHEMBL9426438

[C-]#[N+]c1ccccc1CS(=O)(=O)NC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 5/20 0.33
PARG Q86W56 1/20 0.32
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
ATM Q13315 1/20 0.30
CA9 Q16790 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19808139 0.77 ALDH1A1 (0.36) MEN1KMT2AGAAALDH1A1PARG
SCHEMBL22648437 0.76 ALDH1A1 (0.57) KMT2AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9426501 0.76 NSD2 (0.45) MEN1KMT2AGAAALDH1A1PARG
SCHEMBL19808142 0.73 GAA (0.34) MEN1KMT2AGAAALDH1A1PARG
SCHEMBL9426240 0.71 TSHR (0.34) MEN1KMT2AGAAALDH1A1PARG
SCHEMBL9426521 0.71 GAA (0.54) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL634086 0.71 CA1 (0.57) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2616314 0.69 MGLL (0.42) GAAALDH1A1MAPTL3MBTL1TSHR
SCHEMBL9917355 0.69 RIPK1 (0.43)
SCHEMBL12780470 0.64 PSIP1 (0.43) GAAALDH1A1HPGDSMN1; SMN2LMNA

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
US-5356862-A Herbicidal sulfonylureas E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-18 US disclosed
EP-0511993-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-11-11 EP disclosed
WO-1991010668-A1 HERBICIDAL SULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-25 WO disclosed