SCHEMBL29428446

SCHEMBL29428446

CC(C=Cc1ccco1)NCc1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 10/20 0.50
MAPT P10636 6/20 0.50
TDP1 Q9NUW8 6/20 0.50
RECQL P46063 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
APEX1 P27695 2/20 0.50
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 4/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 2/20 0.39
GAA P10253 1/20 0.39
MITF O75030 1/20 0.39
NSD2 O96028 1/20 0.39

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
SCHEMBL28884428 1.00 POLB (0.50) POLBMAPTTDP1RECQLL3MBTL1
SCHEMBL28365257 0.84 ALDH1A1 (0.51) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL29428414 0.84 ALDH1A1 (0.51) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL29428404 0.80 L3MBTL1 (0.54) POLBMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL28369258 0.80 L3MBTL1 (0.54) POLBMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL28838296 0.78 ALDH1A1 (0.55) POLBMAPTTDP1RECQLL3MBTL1
SCHEMBL28838299 0.78 ALDH1A1 (0.55) POLBMAPTTDP1RECQLL3MBTL1
SCHEMBL29428411 0.77 RAB9A (0.46) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL28368922 0.77 RAB9A (0.46) POLBMAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL28365259 0.76 ALDH1A1 (0.41) POLBMAPTL3MBTL1ALDH1A1KMT2A

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-110734378-B Method for preparing chiral allylamine compound with high chemistry and stereoselectivity 武汉大学 2022-02-15 CN disclosed