SCHEMBL31662377

SCHEMBL31662377

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.43
MCL1 Q07820 2/20 0.36
TBXAS1 P24557 1/20 0.36
HPGDS O60760 1/20 0.36
PARP10 Q53GL7 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHEK2 O96017 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 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
SCHEMBL31662527 0.88 MAPT (0.41) SCN9A
SCHEMBL31662417 0.88 SCN9A (0.41) SCN9AMCL1TBXAS1HPGDSPARP10
SCHEMBL31662603 0.88 SCN9A (0.38) SCN9A
SCHEMBL31662222 0.87 TBXAS1 (0.43) SCN9ATBXAS1HPGDS
SCHEMBL31662175 0.85 HRH3 (0.47) HRH3
SCHEMBL31662580 0.84 PARP10 (0.46) SCN9AHPGDSPARP10CHEK2F2
SCHEMBL31661931 0.84 SCN9A (0.38) SCN9ATBXAS1PARP10CHEK2
SCHEMBL31662144 0.83 PARP15 (0.51) SCN9APARP10CHEK2
SCHEMBL31662190 0.83 SMN1; SMN2 (0.42) SCN9ACHEK2
SCHEMBL31662035 0.83 SCN9A (0.39) SCN9AHRH3CHEK2

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