SCHEMBL31662417

SCHEMBL31662417

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCC(=O)O)cc3)c21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 3/20 0.38
PARP10 Q53GL7 1/20 0.37
LTA4H P09960 2/20 0.36
TBXAS1 P24557 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HPGDS O60760 1/20 0.35
MMP2 P08253 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
SCHEMBL31662377 0.88 SCN9A (0.43) SCN9AMCL1PARP10TBXAS1HPGDS
SCHEMBL31662381 0.88 SCN9A (0.37) SCN9AL3MBTL1
SCHEMBL31661931 0.87 SCN9A (0.38) SCN9APARP10TBXAS1
SCHEMBL31662222 0.86 TBXAS1 (0.43) SCN9ATBXAS1HPGDS
SCHEMBL31661942 0.84 GAA (0.51) SCN9A
SCHEMBL31662580 0.83 PARP10 (0.46) SCN9APARP10HPGDS
SCHEMBL31662144 0.82 PARP15 (0.51) SCN9APARP10
SCHEMBL31662018 0.82 SCN9A (0.39) SCN9ATBXAS1
SCHEMBL31662035 0.82 SCN9A (0.39) SCN9A
SCHEMBL31662493 0.80 L3MBTL1 (0.41) SCN9AL3MBTL1MCL1LTA4HFFAR4

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed