SCHEMBL31364582

SCHEMBL31364582

FC(F)(F)c1cc(Cn2cc(Cl)cn2)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
PTGS1 P23219 5/20 0.51
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPV1 Q8NER1 9/20 0.43
PDPK1 O15530 1/20 0.42
ORAI1 Q96D31 1/20 0.41
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL31364584 0.78 PTGS2 (0.61) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL31364577 0.77 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL287748 0.77 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL31364592 0.77 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL25711936 0.74 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL12983464 0.70 PTGS1 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7402120 0.69 PTGS2 (0.65) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL7113078 0.68 PTGS2 (1.00) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL20758125 0.68 HSD17B10 (0.67) TSHRNPSR1KCNH2
SCHEMBL25227524 0.68 PTGS2 (0.45) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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-2025021650-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2025-01-30 WO disclosed