SCHEMBL31364577

SCHEMBL31364577

FC(F)(F)c1cc(CBr)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
PTGS1 P23219 5/20 0.60
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
PDPK1 O15530 2/20 0.48
TRPV1 Q8NER1 9/20 0.47
ORAI1 Q96D31 1/20 0.46

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) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL287748 0.85 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL31364592 0.85 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL12361462 0.84 PTGS1 (0.58) PTGS2PTGS1CYP1A2PDPK1TRPV1
SCHEMBL25711936 0.79 PTGS2 (0.53) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL2255714 0.78 TRPV1 (0.43) PTGS2PTGS1TRPV1
SCHEMBL12983464 0.77 PTGS1 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL3831158 0.77 TRPV1 (0.39) PTGS2PTGS1TRPV1
SCHEMBL31364582 0.77 PTGS2 (0.51) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL2254928 0.77 RXRA (0.47) PTGS2PTGS1TRPV1

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