SCHEMBL8567241

SCHEMBL8567241

Nc1c([N+](=O)[O-])nc2ccccc2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.46
DHODH Q02127 5/20 0.44
HSD17B10 Q99714 3/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL8563112 0.90 HSD17B10 (0.43) PDE10ADHODHHSD17B10TP53LMNA
SCHEMBL8567636 0.88 HSD17B10 (0.56) PDE10AHSD17B10TP53LMNATSHR
SCHEMBL8570921 0.84 NPC1 (0.40) HSD17B10TP53LMNATSHRALDH1A1
SCHEMBL8565973 0.83 KDM4E (0.38) HSD17B10TP53LMNATSHRALDH1A1
SCHEMBL8564523 0.82 KDM4E (0.53) HSD17B10TP53LMNATSHRALDH1A1
SCHEMBL8562632 0.82 L3MBTL1 (0.52) TP53LMNATSHRALDH1A1KDM4E
SCHEMBL8560976 0.81 ALDH1A1 (0.44) HSD17B10TP53LMNATSHRALDH1A1
SCHEMBL8568682 0.81 S100A4 (0.46) HSD17B10TP53LMNATSHRALDH1A1
SCHEMBL8563863 0.81 ALDH1A1 (0.51) HSD17B10LMNAALDH1A1KDM4EGLA
SCHEMBL8602254 0.80 LMNA (0.41) HSD17B10LMNATSHRALDH1A1KDM4E

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