SCHEMBL28028733

SCHEMBL28028733

O=[N+]([O-])Cc1ccc(-c2ccccc2)c2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 7/20 0.47
SKP2 Q13309 7/20 0.47
GLO1 Q04760 2/20 0.47
CNR1 P21554 2/20 0.42
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPT P10636 3/20 0.40
COMT P21964 1/20 0.40
TOP1 P11387 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
CTSB P07858 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 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
SCHEMBL28028249 0.78 MAPT (0.61) ALDH1A1L3MBTL1MAPTCYP2D6CYP2C9
SCHEMBL28028252 0.78 MEN1 (0.54) ALDH1A1L3MBTL1MAPTCYP2D6CYP2C9
SCHEMBL10300323 0.75 CKS1B (0.58) CKS1BSKP2GLO1L3MBTL1MAPT
SCHEMBL8116134 0.72 MAPT (0.61) ALDH1A1L3MBTL1MAPTKDM4EMAPK1
SCHEMBL28028248 0.71 PDE10A (0.57) ALDH1A1L3MBTL1MAPTCOMTCYP2D6
SCHEMBL1170421 0.70 ALDH1A1 (0.52) ALDH1A1LMNAKMT2A
SCHEMBL6558016 0.70 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPTCYP2D6CYP2C19
SCHEMBL28028770 0.69 PSMB5 (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL12530867 0.69 COMT (0.73) CKS1BSKP2GLO1ALDH1A1L3MBTL1
SCHEMBL8035529 0.69 PSMD14 (0.56) CKS1BSKP2GLO1COMTTOP1

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-104860881-A Methods for synthesizing 8-(nitro methyl) quinoline compounds and 8-methylamino tetrahydroquinoline compounds UNIV ZHEJIANG TECHNOLOGY 2015-08-26 CN disclosed