SCHEMBL7993331

SCHEMBL7993331

CS(=O)(=O)c1ccc(C(=O)C2=C(Cl)CCCC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
ALDH3A1 P30838 3/20 0.42
ALDH1A1 P00352 3/20 0.40
HPD P32754 2/20 0.38
MAPT P10636 2/20 0.38
FLT1 P17948 2/20 0.38
FLT4 P35916 2/20 0.38
KDR P35968 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37

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 0.88 ALDH3A1 (0.43) PTGS1PTGS2ALDH3A1ALDH1A1HPD
SCHEMBL7996379 0.86 ALDH3A1 (0.44) PTGS1PTGS2ALDH3A1ALDH1A1HPD
SCHEMBL9190248 0.84 PTGS2 (0.45) PTGS1PTGS2ALDH1A1MAPTMEN1
SCHEMBL7995073 0.84 ALDH3A1 (0.43) PTGS1PTGS2ALDH3A1ALDH1A1HPD
SCHEMBL9733127 0.81 ALDH1A1 (0.40) ALDH3A1ALDH1A1MAPTFLT1FLT4
SCHEMBL9194013 0.79 MEN1 (0.45) ALDH1A1KDM4EMEN1RAB9AKMT2A
SCHEMBL2047969 0.77 ALDH1A1 (0.40) PTGS1PTGS2ALDH3A1ALDH1A1HPD
Mesotrione SCHEMBL4895947 0.75 HPD (0.62) ALDH3A1ALDH1A1HPDMAPTMEN1
Mesotrione SCHEMBL29352201 0.75 HPD (0.62) ALDH3A1ALDH1A1HPDMAPTMEN1
SCHEMBL28465253 0.75 ALDH3A1 (0.46) ALDH3A1ALDH1A1HPDMAPTFLT1

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
WO-2024146512-A1 TRI-SUBSTITUTED PHENYL CYCLOHEXENE THIOETHER COMPOUND AND USE THEREOF 沈阳万菱生物技术有限公司 2024-07-11 WO disclosed
CN-118290317-A Trisubstituted cyclohexene sulfide compound and application thereof 沈阳万菱生物技术有限公司 2024-07-05 CN disclosed
WO-2001066522-A1 ACYLATED PHENYL OR PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-09-13 WO disclosed