SCHEMBL31662231

SCHEMBL31662231

Cn1ncc2cc([N+](=O)[O-])cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
LTA4H P09960 3/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CD38 P28907 1/20 0.34
MAPK14 Q16539 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL31662457 0.84 CD38 (0.34) ATMLTA4HALDH1A1SMN1; SMN2CD38
SCHEMBL31662230 0.84 CD38 (0.34) ATMLTA4HALDH1A1CD38MAPK14
SCHEMBL31662578 0.83 CD38 (0.37) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL31662072 0.82 SCN9A (0.39) CD38MAPK14
SCHEMBL31662620 0.81 CD38 (0.40) L3MBTL1MAPTMEN1KMT2ATDP1
SCHEMBL31662289 0.81 CD38 (0.32) CD38MAPK14
SCHEMBL31662235 0.81 CD38 (0.39) CD38MAPK14
SCHEMBL31662006 0.79 GCK (0.43) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL31662202 0.79 GSK3B (0.36) ATMLTA4HCD38MAPK14
SCHEMBL31662008 0.78 CD38 (0.46) CD38

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