SCHEMBL7993239

SCHEMBL7993239

CS(=O)(=O)c1ccc(C(=O)C2=C(Cl)C3CCC(C3)C2=O)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
ALDH3A1 P30838 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RAB9A P51151 1/20 0.36
FLT1 P17948 2/20 0.36
FLT4 P35916 2/20 0.36
KDR P35968 2/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
VCAM1 P19320 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL2347028 0.89 ALDH1A1 (0.39) ALDH1A1ALDH3A1MEN1KMT2AMAPT
SCHEMBL2347024 0.89 ALDH1A1 (0.39) ALDH1A1ALDH3A1MEN1KMT2AMAPT
SCHEMBL8943348 0.83 USP7 (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7993250 0.81 ALDH1A1 (0.35) ALDH1A1ALDH3A1MEN1KMT2AMAPT
SCHEMBL8698284 0.80 CA12 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL999603 0.77 HPD (0.42) ALDH1A1ALDH3A1MEN1KMT2AMAPT
SCHEMBL7993331 0.75 PTGS1 (0.44) ALDH1A1ALDH3A1MEN1KMT2AMAPT
Mesotrione SCHEMBL17927166 0.74 HPD (0.40) ALDH1A1MEN1KMT2ALMNA
SCHEMBL2084156 0.73 ALDH1A1 (0.51) ALDH1A1ALDH3A1MEN1KMT2AMAPT
SCHEMBL30595897 0.73 ALDH1A1 (0.51) ALDH1A1ALDH3A1MEN1KMT2AMAPT

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
WO-2001066522-A1 ACYLATED PHENYL OR PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-09-13 WO disclosed
US-5525580-A USED TO PREVENT WEEDS IN PADDY FIELDS SDS BIOTECH K.K. (JP) 1996-06-11 US disclosed