SCHEMBL7995073

SCHEMBL7995073

CS(=O)(=O)NC1=C(C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)CCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPD P32754 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL6859633 0.86 ALDH3A1 (0.43) ALDH3A1ALDH1A1LMNAGAAMAPT
SCHEMBL7993331 0.84 PTGS1 (0.44) ALDH3A1ALDH1A1LMNAGAAMAPT
SCHEMBL7996379 0.84 ALDH3A1 (0.44) ALDH3A1ALDH1A1LMNAGAAMAPT
SCHEMBL2047969 0.76 ALDH1A1 (0.40) ALDH3A1ALDH1A1LMNAGAAMAPT
Mesotrione SCHEMBL4895947 0.73 HPD (0.62) ALDH3A1ALDH1A1LMNAGAAMAPT
Mesotrione SCHEMBL22116 0.73 HPD (0.62) ALDH3A1ALDH1A1LMNAGAAMAPT
Mesotrione SCHEMBL29352201 0.73 HPD (0.62) ALDH3A1ALDH1A1LMNAGAAMAPT
SCHEMBL28465253 0.73 ALDH3A1 (0.46) ALDH3A1ALDH1A1LMNAGAAMAPT
Mesotrione SCHEMBL2233142 0.72 HPD (0.61) ALDH3A1ALDH1A1LMNAGAAMAPT
Mesotrione SCHEMBL20723476 0.72 HPD (0.61) ALDH3A1ALDH1A1LMNAGAAMAPT

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-2001066522-A1 ACYLATED PHENYL OR PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-09-13 WO disclosed