SCHEMBL9529358

SCHEMBL9529358

CC(Oc1cc(-c2nn(C)c(S(C)(=O)=O)c2Cl)c(F)cc1Cl)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
ABCB11 O95342 1/20 0.33
PPOX P50336 2/20 0.32
PPARG P37231 5/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 3/20 0.32
SCN9A Q15858 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
SCHEMBL9696171 0.90 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9530079 0.90 PTGDR2 (0.41) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9696140 0.89 LMNA (0.34) KDM4EALDH1A1HPGDTSHRPPOX
SCHEMBL9534405 0.88 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL6911659 0.83 PTGDR2 (0.37) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9696367 0.83 KDM4E (0.31) KDM4E
SCHEMBL9530563 0.82 PTGS2 (0.39) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9857238 0.82 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9534173 0.82 PTGDR2 (0.39) KDM4EALDH1A1HSD17B10HPGDPTGDR2
SCHEMBL9530862 0.80 PPOX (0.35) ALDH1A1TSHRPPOX

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP claimed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO claimed
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed