SCHEMBL31662353

SCHEMBL31662353

CN(C)C=NNC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2c(cnn2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
MAPT P10636 3/20 0.32
GCK P35557 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK14 Q16539 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGDS O60760 1/20 0.32
REN P00797 2/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32

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
SCHEMBL31662235 0.87 CD38 (0.39) CD38GCKMAPK14HPGDSREN
SCHEMBL31662620 0.84 CD38 (0.40) CD38RAB9AMAPTKDM4EALDH1A1
SCHEMBL31662578 0.84 CD38 (0.37) CD38GCKKDM4EALDH1A1MEN1
SCHEMBL31662072 0.83 SCN9A (0.39) CD38MAPK14SCN9A
SCHEMBL31662006 0.80 GCK (0.43) GCKALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31662085 0.79 SCN9A (0.38) CD38GCKHPGDSSCN9A
SCHEMBL31661893 0.79 SCN9A (0.38) CD38GCKHPGDSSCN9A
SCHEMBL31662508 0.78 CD38 (0.37) CD38GCKMAPK14BMPR1BBMPR1A
SCHEMBL31662457 0.77 CD38 (0.34) CD38ALDH1A1MAPK14SMN1; SMN2CYP1A2
SCHEMBL31662230 0.77 CD38 (0.34) CD38ALDH1A1LMNAMAPK14CYP1A2

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