SCHEMBL8600773

SCHEMBL8600773

CCCCCNc1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
HCAR3 P49019 2/20 0.50
MAPT P10636 5/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KAT2B Q92831 4/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
ACHE P22303 1/20 0.42
DHFR P00374 1/20 0.42
PRSS1 P07477 2/20 0.40

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
SCHEMBL19402368 0.82 MAPT (0.51) L3MBTL1MAPTPOLBPKMALDH1A1
SCHEMBL19402241 0.81 MAPT (0.67) L3MBTL1HCAR3MAPTPOLBALDH1A1
SCHEMBL15740729 0.80 L3MBTL1 (0.53) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL8598258 0.79 L3MBTL1 (0.47) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL10428303 0.79 MAPT (0.63) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL9796844 0.79 MAPT (0.63) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL8599060 0.77 L3MBTL1 (0.45) L3MBTL1HCAR3POLBLMNA
SCHEMBL8595708 0.76 GABRP (0.50) L3MBTL1MAPTPOLBALDH1A1TDP1
SCHEMBL8597281 0.76 SMN1; SMN2 (0.47) L3MBTL1MAPTPOLBALDH1A1LMNA
SCHEMBL8599737 0.76 L3MBTL1 (0.49) L3MBTL1HCAR3MAPTPOLBPKM

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