SCHEMBL28045528

SCHEMBL28045528

[CH2]c1ccc([N+](=O)[O-])cc1CN=[N+]=[N-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
TSHR P16473 3/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.35
ACHE P22303 1/20 0.34
PTPRC P08575 1/20 0.34
S100A4 P26447 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13644918 0.82 PTPRC (0.38) KDM4EMEN1MAPTKMT2AMCL1
SCHEMBL28106512 0.82 GPR35 (0.47) MEN1MAPTKMT2AMCL1TSHR
SCHEMBL27963567 0.82 ALDH1A1 (0.50) KDM4EMEN1MAPTKMT2AMCL1
SCHEMBL28136295 0.79 KDM4E (0.36) KDM4EMEN1MAPTKMT2AMCL1
SCHEMBL13762643 0.79 HTT (0.42) KDM4EMEN1MAPTKMT2AMCL1
SCHEMBL14270225 0.79 ALDH1A1 (0.44) KDM4EMEN1MAPTKMT2AMCL1
SCHEMBL25407097 0.78 ALDH1A1 (0.50) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL14983016 0.78 TDP1 (0.50) MEN1MAPTKMT2ALMNATDP1
SCHEMBL13852147 0.78 CYP19A1 (0.47) MEN1MAPTKMT2ALMNATDP1
SCHEMBL28045670 0.77 KMT2A (0.41) MEN1MAPTKMT2ATSHRTDP1

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-105218397-A The synthetic method of 2-azido-methyl-4-nitrobenzoyl chloride UNIV JINAN 2016-01-06 CN claimed