SCHEMBL8599144

SCHEMBL8599144

CCCCCNC(=O)c1nc2ccccc2c([N+](=O)[O-])c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
NAAA Q02083 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
APOBEC3A P31941 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ASAH1 Q13510 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TLR7 Q9NYK1 2/20 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
SCHEMBL8600621 0.83 LMNA (0.41) SMN1; SMN2HPGDALDH1A1HTTKDM4E
SCHEMBL8560819 0.83 HPGD (0.53) HPGDKDM4EGAAL3MBTL1ADORA2A
SCHEMBL8599924 0.83 TLR7 (0.47) SMN1; SMN2RAB9ANPC1NAAAHPGD
SCHEMBL8601327 0.80 MAPT (0.45) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL8595761 0.80 NAAA (0.45) SMN1; SMN2RAB9ANPC1NAAAHPGD
SCHEMBL8921743 0.80 TP53 (0.44) SMN1; SMN2HPGDALDH1A1HTTKDM4E
SCHEMBL8600079 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL3094118 0.78 ADORA3 (0.58) SMN1; SMN2RAB9ANPC1NAAAHPGD
SCHEMBL8565819 0.77 HSD17B10 (0.49) SMN1; SMN2RAB9AHPGDALDH1A1HTT
SCHEMBL8563341 0.77 MAPT (0.49) SMN1; SMN2RAB9AHPGDALDH1A1HTT

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