SCHEMBL30046151

SCHEMBL30046151

O=S(=O)(Oc1cc2ccc(Cl)cc2nn1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR2 P34972 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FBP1 P09467 5/20 0.36
PIK3CG P48736 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
NR4A2 P43354 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALPL P05186 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL1574305 1.00 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL26685340 0.89 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL12679145 0.83 ALDH1A1 (0.37) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL14548353 0.80 PDE4A (0.34) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL26685365 0.78 PDE4A (0.37) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL31570171 0.78 PDE4A (0.37) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL1396872 0.77 PDE4A (0.48) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL2749007 0.77 PDE4A (0.48) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL18133374 0.73 HSD11B1 (0.45) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL18890302 0.71 PDE4A (0.39) PDE4APDE4CPDE4DADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998278-A Compounds and uses thereof 福宏治疗公司 2025-05-13 CN disclosed
EP-4329889-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 EP disclosed
WO-2022232333-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 WO disclosed