SCHEMBL31364574

SCHEMBL31364574

O=Cc1cc(C(F)(F)F)nn1-c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.60
PTGS1 P23219 9/20 0.60
PDPK1 O15530 2/20 0.51
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
NR3C2 P08235 1/20 0.43
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL31364572 1.00 PTGS2 (0.60) PTGS2PTGS1PDPK1CYP1A2CYP3A4
SCHEMBL30999691 0.86 PTGS2 (0.51) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL28957484 0.84 PTGS1 (0.58) PTGS2PTGS1PDPK1CYP1A2NR3C2
SCHEMBL1672108 0.80 PTGS1 (0.62) PTGS2PTGS1CYP2C9
SCHEMBL7402120 0.76 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP1A2CYP3A4
SCHEMBL28293385 0.76 POLB (0.55) PTGS2NPSR1
SCHEMBL7113078 0.75 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP1A2CYP3A4
SCHEMBL18604629 0.75 PTGS2 (0.58) PTGS2PTGS1PDPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL14663451 0.74 PTGS2 (0.46) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL31364584 0.74 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP1A2CYP3A4

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