SCHEMBL31662578

SCHEMBL31662578

Cn1ncc2cc(C(=O)O)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.37
HRH3 Q9Y5N1 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HAO1 Q9UJM8 2/20 0.35
PDE4D Q08499 1/20 0.35
EGLN1 Q9GZT9 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 2/20 0.34
SCN9A Q15858 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GCK P35557 1/20 0.33
DHODH Q02127 1/20 0.33
HPGDS O60760 1/20 0.33

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
SCHEMBL31662072 0.92 SCN9A (0.39) CD38HRH3PDE4DMAPK14SCN9A
SCHEMBL31662620 0.91 CD38 (0.40) CD38HRH3KDM4EALDH1A1PDE4D
SCHEMBL31662235 0.90 CD38 (0.39) CD38HRH3PDE4DMAPK14SCN9A
SCHEMBL31662006 0.89 GCK (0.43) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31661893 0.87 SCN9A (0.38) CD38HRH3PDE4DSCN9AGCK
SCHEMBL31662085 0.87 SCN9A (0.38) CD38HRH3PDE4DSCN9AGCK
SCHEMBL31662230 0.85 CD38 (0.34) CD38HRH3ALDH1A1MAPK14
SCHEMBL31662457 0.85 CD38 (0.34) CD38HRH3ALDH1A1MAPK14SMN1; SMN2
SCHEMBL31662385 0.84 CHEK2 (0.41) KDM4EALDH1A1PDE4DMEN1KMT2A
SCHEMBL31662428 0.84 DHODH (0.37) CD38HRH3KDM4EHAO1MAPK14

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