SCHEMBL31369068

SCHEMBL31369068

OC(c1cc(C(F)(F)F)ccc1Br)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.42
TAS2R14 Q9NYV8 1/20 0.37
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CES2 O00748 3/20 0.34
GSK3B P49841 1/20 0.34
PNMT P11086 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES1 P23141 1/20 0.33
PTPN5 P54829 1/20 0.32

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
SCHEMBL150245 0.81 PDE2A (0.59) PDE2ATAS2R14MAPTXBP1NPSR1
SCHEMBL31064629 0.81 PDE2A (0.59) PDE2ATAS2R14MAPTXBP1NPSR1
SCHEMBL6794936 0.81 PDE2A (0.59) PDE2ATAS2R14MAPTXBP1NPSR1
SCHEMBL31040742 0.81 PDE2A (0.59) PDE2ATAS2R14MAPTXBP1NPSR1
SCHEMBL16567260 0.81 ABHD6 (0.36) ALDH1A1
SCHEMBL618777 0.79 SCN9A (0.36) CES2CES1
SCHEMBL613145 0.79 SCN9A (0.36) CES2CES1
SCHEMBL24215285 0.79 PNMT (0.54) PDE2ATAS2R14MAPTNPSR1PNMT
SCHEMBL24575318 0.79 PDE2A (0.38) PDE2ATAS2R14MAPTXBP1NPSR1
SCHEMBL18932350 0.78 PDE2A (0.54) PDE2AMAPTALDH1A1

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-2025059069-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD (US) 2025-03-20 WO disclosed