SCHEMBL31364592

SCHEMBL31364592

OCc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
PTGS1 P23219 4/20 0.60
TRPV1 Q8NER1 11/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HIF1A Q16665 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ORAI1 Q96D31 1/20 0.49
PDPK1 O15530 1/20 0.48

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 0.86 PTGS2 (0.61) PTGS2PTGS1TRPV1CYP1A2CYP3A4
SCHEMBL287748 0.85 PTGS2 (0.60) PTGS2PTGS1TRPV1CYP1A2CYP3A4
SCHEMBL31364577 0.85 PTGS2 (0.60) PTGS2PTGS1TRPV1CYP1A2CYP3A4
SCHEMBL31364578 0.84 TRPV1 (0.48) PTGS2TRPV1
SCHEMBL6176465 0.81 PTGS2 (0.63) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL21919217 0.80 PTGS2 (0.42) PTGS2PTGS1TRPV1
SCHEMBL7402120 0.80 PTGS2 (0.65) PTGS2PTGS1TRPV1CYP1A2CYP3A4
SCHEMBL25711936 0.79 PTGS2 (0.53) PTGS2PTGS1TRPV1CYP1A2CYP3A4
SCHEMBL1668127 0.79 PTGS1 (0.60) PTGS2PTGS1CYP2C9NPSR1
SCHEMBL3830325 0.77 TRPV1 (0.41) PTGS2TRPV1

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