SCHEMBL31538044

SCHEMBL31538044

c1ccc(CCN/C(=N\c2ccccc2)c2ccco2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX12 P18054 1/20 0.52
ALDH1A1 P00352 7/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL31538022 0.90 RAB9A (0.52) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL9212709 0.79 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL31538026 0.79 ALDH1A1 (0.43) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL31538055 0.78 GPR52 (0.44) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL31530565 0.74 RAB9A (1.00) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL31538020 0.74 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12
SCHEMBL31538037 0.72 ALDH1A1 (0.40) SMN1; SMN2RAB9ANPC1L3MBTL1ALDH1A1
SCHEMBL31537979 0.71 RAB9A (0.48) SMN1; SMN2RAB9ANPC1ALOX12ALDH1A1
SCHEMBL9528126 0.69 IDO1 (0.57) SMN1; SMN2RAB9ANPC1ALOX12ALDH1A1
SCHEMBL13685766 0.68 RAB9A (0.73) SMN1; SMN2RAB9ANPC1L3MBTL1ALOX12

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-2025095412-A1 NOVEL IMINE DERIVATIVE COMPOUND AND USE THEREOF 한국화학연구원 2025-05-08 WO disclosed