SCHEMBL28028249

SCHEMBL28028249

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.61
ALDH1A1 P00352 9/20 0.61
KMT2A Q03164 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CTSB P07858 3/20 0.61
LMNA P02545 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
NPC1 O15118 1/20 0.61
BRD4 O60885 1/20 0.61
HSP90AA1 P07900 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD2 P14416 1/20 0.61
ALOX12 P18054 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
CHRM3 P20309 1/20 0.61
HTR2C P28335 1/20 0.61
CTH P32929 1/20 0.61

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
SCHEMBL15093675 0.86 KMT2A (0.68) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL29066522 0.85 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28028252 0.82 MEN1 (0.54) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28900353 0.80 MAPT (0.59) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL12643763 0.79 MAPT (0.61) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28028733 0.78 CKS1B (0.47) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL21816802 0.78 MAPT (0.69) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2555260 0.76 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6609076 0.76 ALDH1A1 (0.77) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL8345364 0.76 MAPT (0.67) MAPTALDH1A1KMT2ASMN1; SMN2MEN1

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