SCHEMBL28480772

SCHEMBL28480772

c1ccc(/N=N/c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 7/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
TP53 P04637 3/20 0.50
ALOX15 P16050 3/20 0.50
LMNA P02545 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 1/20 0.50
STAT1 P42224 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL28480774 1.00 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL7764536 0.98 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL10343353 0.98 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL9308168 0.98 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL15478194 0.98 ALDH1A1 (0.52) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL3700494 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL3700499 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL3700496 0.92 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL18806576 0.82 MAPT (0.50) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL4342274 0.82 LMNA (0.64) ALDH1A1MAPTNPC1RAB9AL3MBTL1

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
CN-107935882-B Method for preparing trans-aromatic tertiary amine azo compound with high stereoselectivity 湖南理工学院 2020-11-13 CN disclosed