SCHEMBL28028252

SCHEMBL28028252

Cc1ccc(C[N+](=O)[O-])c2ncccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 2/20 0.49
PSMD14 O00487 1/20 0.49
COPS5 Q92905 1/20 0.49
SLC6A2 P23975 1/20 0.49
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CASP1 P29466 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR1 P32246 2/20 0.41
CCR8 P51685 2/20 0.41
SLC40A1 Q9NP59 1/20 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
SCHEMBL28028249 0.82 MAPT (0.61) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL10157939 0.80 HTT (0.58) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL28028733 0.78 CKS1B (0.47) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL11973580 0.76 MEN1 (0.77) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL28067774 0.76 HTT (0.56) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL28028770 0.75 PSMB5 (0.42) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL28028248 0.74 PDE10A (0.57) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL28028923 0.73 LMNA (0.50) MEN1KMT2ASMN1; SMN2HTTMAPT
SCHEMBL812451 0.72 HTT (0.70) MEN1KMT2ASMN1; SMN2HTTPSMD14
SCHEMBL8342933 0.72 PAX8 (0.59) KMT2ASMN1; SMN2HTTPSMD14COPS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860880-B The method of one kind 8 (nitromethyla) quinolines of synthesis 浙江工业大学 2017-07-28 CN disclosed
CN-104860880-A Method for synthesizing 8-(nitro methyl) quinoline compounds UNIV ZHEJIANG TECHNOLOGY 2015-08-26 CN disclosed
CN-104860881-A Methods for synthesizing 8-(nitro methyl) quinoline compounds and 8-methylamino tetrahydroquinoline compounds UNIV ZHEJIANG TECHNOLOGY 2015-08-26 CN disclosed