SCHEMBL31662222

SCHEMBL31662222

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCn4cnnc4)cc3)c21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.43
SCN9A Q15858 9/20 0.40
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGDS O60760 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 0.87 SCN9A (0.43) TBXAS1SCN9AHPGDS
SCHEMBL31662417 0.86 SCN9A (0.41) TBXAS1SCN9AHPGDS
SCHEMBL31661931 0.83 SCN9A (0.38) TBXAS1SCN9ALMNA
SCHEMBL31662157 0.82 CYP11B2 (0.41) SCN9A
SCHEMBL31662175 0.82 HRH3 (0.47) LMNAKMT2A
SCHEMBL31662018 0.82 SCN9A (0.39) TBXAS1SCN9A
SCHEMBL31662580 0.82 PARP10 (0.46) SCN9AKMT2AHPGDS
SCHEMBL31662062 0.81 CCNC (0.47) SCN9AMEN1LMNAKMT2A
SCHEMBL31662072 0.81 SCN9A (0.39) SCN9A
SCHEMBL31662144 0.81 PARP15 (0.51) SCN9A

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