SCHEMBL24968797

SCHEMBL24968797

CSNc1ccc(OCC2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.43
SCN5A Q14524 3/20 0.43
LRRK2 Q5S007 4/20 0.39
MET P08581 1/20 0.35
P2RX3 P56373 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL24968526 0.81 SCN9A (0.53) SCN9ASCN5A
SCHEMBL24968796 0.77 SCN9A (0.42) SCN9ASCN5ALRRK2
SCHEMBL24968534 0.76 EGFR (0.46) SCN9ASCN5AMET
SCHEMBL24969057 0.76 SCN9A (0.44) SCN9ASCN5ALRRK2
SCHEMBL24968847 0.76 SCN9A (0.44) SCN9ASCN5AMET
SCHEMBL24969558 0.75 SCN9A (0.49) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL30152321 0.75 SCN9A (0.49) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL24968528 0.72 KDM4C (0.53) SCN9ASCN5APDE4APDE4BPDE4C
SCHEMBL30152356 0.72 S1PR4 (0.48) SCN9ASCN5APDE4B
SCHEMBL21190851 0.69 EGFR (0.32) PDE4APDE4BPDE4CPDE4D

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-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed