SCHEMBL8559702

SCHEMBL8559702

N#Cc1c(N)c([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
GLA P06280 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAD52 P43351 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL8564523 0.81 KDM4E (0.53) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL6385999 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8564469 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8561932 0.78 KDM4E (0.46) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8568682 0.77 S100A4 (0.46) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8560976 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8567241 0.75 PDE10A (0.46) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8562352 0.73 KDM4E (0.41) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8559235 0.73 KDM4E (0.41) ALDH1A1KDM4EMAPTKMT2AGLA
SCHEMBL8563112 0.73 HSD17B10 (0.43) ALDH1A1KDM4EMAPTKMT2AGLA

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