SCHEMBL28279482

SCHEMBL28279482

Cc1coc(-c2ccccc2N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TGFBR1 P36897 1/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 6/20 0.41
NPC1 O15118 6/20 0.41
GAA P10253 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
ATAD2 Q6PL18 1/20 0.40
S1PR1 P21453 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.38

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
SCHEMBL17068993 0.81 RAB9A (0.53) ALDH1A1L3MBTL1TGFBR1KDM4ENPC1
SCHEMBL5539380 0.78 NPC1 (0.50) ALDH1A1TGFBR1ATMKDM4ENPC1
SCHEMBL17544821 0.78 PDE4B (0.53) ALDH1A1TGFBR1KDM4ENPC1RAB9A
SCHEMBL21083458 0.78 HDAC1 (0.54) ALDH1A1L3MBTL1TGFBR1KDM4ENPC1
SCHEMBL28280569 0.77 ALDH1A1 (0.41) ALDH1A1L3MBTL1ATMKDM4ENPC1
SCHEMBL23176775 0.75 TGFBR1 (0.38) ALDH1A1TGFBR1KDM4EENPP3ENPP1
SCHEMBL28280566 0.75 ENPP3 (0.56) ALDH1A1L3MBTL1ATMKDM4ENPC1
SCHEMBL2062074 0.74 ACHE (0.53) ALDH1A1L3MBTL1ATMKDM4ENPC1
SCHEMBL31607735 0.74 KDM4E (0.56) ALDH1A1TGFBR1KDM4ENPC1GAA
Ammonia Solution, Strong SCHEMBL28324709 0.74 ENPP3 (0.55) ALDH1A1L3MBTL1ATMKDM4ENPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320507-B Chiral fluorescent compound based on quinoline amide folder and preparation method and application thereof 北京师范大学 2020-05-22 CN disclosed
CN-109320507-A Chiral fluorescent chemicals and the preparation method and application thereof based on quinoline amides folded formation 北京师范大学 2019-02-12 CN disclosed