SCHEMBL8600541

SCHEMBL8600541

CCCCCNc1cc([N+](=O)[O-])c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
ELANE P08246 3/20 0.48
MAPT P10636 4/20 0.47
HCAR3 P49019 1/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL8569559 0.79 SMN1; SMN2 (0.59) KDM4EELANEMAPTLMNAALDH1A1
SCHEMBL8599321 0.79 HPGD (0.48) KDM4EMAPTHCAR3LMNAALDH1A1
SCHEMBL8598728 0.79 ALDH1A1 (0.43) ELANEMAPTHCAR3LMNAALDH1A1
SCHEMBL8600211 0.78 ALDH1A1 (0.55) KDM4EMAPTLMNAALDH1A1GAA
SCHEMBL20867956 0.78 KDM4E (0.61) KDM4EELANELMNAALDH1A1MEN1
SCHEMBL8598313 0.78 SLC2A1 (0.49) ELANEMAPTHCAR3LMNACYP2C19
SCHEMBL8598717 0.77 RAB9A (0.47) KDM4EMAPTHCAR3LMNAALDH1A1
SCHEMBL10888915 0.76 MAPT (0.69) MAPTHCAR3LMNAALDH1A1CHRM2
SCHEMBL8595165 0.76 LTB4R (0.49) KDM4EMAPTLMNAALDH1A1KCNH2
SCHEMBL2137910 0.76 MAPT (0.52) KDM4EMAPTALDH1A1GAAMEN1

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