Nitrogen

Nitrogen

SCHEMBL8610156

Cc1cc([N+](=O)[O-])ccc1-c1cccc2ccccc12.N#N

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 3/20 0.47
PTPRC P08575 2/20 0.45
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
CES1 P23141 1/20 0.45
S100A4 P26447 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP19A1 P11511 1/20 0.45
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6393406 0.83 PTPRC (0.65) MAPTKDM4EALDH1A1TDP1TSHR
SCHEMBL14565383 0.81 TSHR (0.60) MAPTALDH1A1TDP1TSHRPTPRC
SCHEMBL28362435 0.81 TDP1 (0.57) MAPTKDM4EALDH1A1TDP1TSHR
SCHEMBL27928935 0.79 PTPRC (0.47) MAPTKDM4EALDH1A1TDP1TSHR
SCHEMBL30683694 0.79 ALDH1A1 (0.72) CA1CA2CA9MAPTKDM4E
SCHEMBL7162214 0.79 ALDH1A1 (0.51) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL26129497 0.77 PTPRC (0.47) MAPTKDM4EALDH1A1TDP1TSHR
SCHEMBL28257786 0.76 TSHR (0.54) MAPTALDH1A1TDP1TSHRPTPRC
SCHEMBL7571256 0.76 VCAM1 (0.47) CA1CA2MAPTKDM4EALDH1A1
SCHEMBL8365466 0.76 EIF4A1 (0.57) MAPTKDM4EALDH1A1TDP1CYP3A4

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
US-5736408-A COLORIMETRIC PHOTOMETRIC QUANTITATIVE ANALYSIS CHIMERA RESEARCH AND CHEMICAL INC. 1998-04-07 US claimed
US-5736408-A COLORIMETRIC PHOTOMETRIC QUANTITATIVE ANALYSIS CHIMERA RESEARCH AND CHEMICAL INC. 1998-04-07 US disclosed