SCHEMBL8567277

SCHEMBL8567277

Nc1cnc([N+](=O)[O-])c(C2CCNCC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.35
HTR1A P08908 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
MAPT P10636 3/20 0.33
PLAT P00750 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
GABRA1 P14867 4/20 0.33
GABRB2 P47870 2/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
HTR2C P28335 2/20 0.31
THRB P10828 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
RECQL P46063 1/20 0.31
PLG P00747 2/20 0.31
RPS6KA3 P51812 1/20 0.30

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
Hydrochloric Acid SCHEMBL1874318 0.75 HRH4 (0.40) HRH4PLATGABRA1GABRB2HTR2C
SCHEMBL8564380 0.74 MAPT (0.36) HTR6HTR1AHRH4MAPTPLAT
SCHEMBL8562626 0.74 HTR6 (0.36) HTR6HTR1AHTR2CHRH3MKNK1
SCHEMBL8562725 0.74 MAPT (0.32) MAPT
SCHEMBL8561395 0.74 HTR1A (0.49) HTR1AHTR2C
SCHEMBL8567927 0.70 PIM1 (0.36) HRH4MAPTPLATPIM1PIM3
SCHEMBL8568828 0.69 TDP1 (0.48) MAPTRECQL
SCHEMBL8562235 0.69 TDP1 (0.48) MAPTRECQL
SCHEMBL8562692 0.69 HTT (0.40) HTR6HTR1AMAPTPIM1PIM3
SCHEMBL28766046 0.68 ALDH1A1 (0.37) HRH4MAPTHRH3RECQL

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
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed