SCHEMBL7993250

SCHEMBL7993250

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
ALDH3A1 P30838 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
HPD P32754 1/20 0.32
CCR2 P41597 1/20 0.31

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 0.82 ALDH1A1 (0.39) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL2347024 0.82 ALDH1A1 (0.39) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL7993239 0.81 ALDH1A1 (0.38) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL8698284 0.74 CA12 (0.43) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL8943348 0.73 USP7 (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL999603 0.71 HPD (0.42) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL8493348 0.68 MEN1 (0.41) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL7995073 0.68 ALDH3A1 (0.43) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL6859633 0.67 ALDH3A1 (0.43) ALDH1A1ALDH3A1MEN1KMT2ALMNA
SCHEMBL4653029 0.66 ALDH1A1 (0.37) ALDH1A1ALDH3A1MEN1KMT2ALMNA

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