SCHEMBL31337784

SCHEMBL31337784

NNC(=O)c1ccc(F)c(N2CCC(F)(F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.41
GSK3B P49841 3/20 0.41
SCN10A Q9Y5Y9 11/20 0.40
P2RX7 Q99572 2/20 0.39
TRPV3 Q8NET8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CNR2 P34972 2/20 0.37

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
SCHEMBL31337772 1.00 GSK3A (0.41) GSK3AGSK3BSCN10AP2RX7TRPV3
SCHEMBL31337776 0.86 MBOAT4 (0.43) GSK3AGSK3BSCN10AP2RX7ALDH1A1
SCHEMBL31337800 0.83 SCN10A (0.45) GSK3AGSK3BSCN10AP2RX7
SCHEMBL31337786 0.82 CRBN (0.39) SCN10ATRPV3MAPTCNR2
SCHEMBL31337785 0.77 KIF18A (0.52) GSK3AGSK3BP2RX7
SCHEMBL31337787 0.77 KIF18A (0.52) GSK3AGSK3BP2RX7
SCHEMBL26742854 0.77 KIF18A (0.52) GSK3AGSK3BP2RX7
SCHEMBL31337781 0.76 GSK3A (0.51) GSK3AGSK3BSCN10AP2RX7TRPV3
SCHEMBL26646371 0.75 SCN10A (0.46) GSK3AGSK3BSCN10ACNR2
SCHEMBL30788625 0.74 IDH1 (0.41) SCN10ATRPV3

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-2025020624-A1 BENZENE RING DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 捷思英达控股有限公司 2025-01-30 WO disclosed