SCHEMBL8599737

SCHEMBL8599737

CCCCCNc1cc(N)cnc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
HCAR3 P49019 2/20 0.44
MAPT P10636 5/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DHFR P00374 1/20 0.37
KAT2B Q92831 5/20 0.37
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACHE P22303 1/20 0.35
TLR8 Q9NR97 1/20 0.35
PRSS1 P07477 1/20 0.35
RIPK1 Q13546 1/20 0.35

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
SCHEMBL8597941 0.77 HTR2A (0.43) L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL8601240 0.77 RECQL (0.40) L3MBTL1MAPTPOLBPKMALDH1A1
SCHEMBL8602297 0.76 L3MBTL1 (0.40) L3MBTL1MAPTPOLBALDH1A1TDP1
SCHEMBL8600773 0.76 L3MBTL1 (0.55) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL8598700 0.76 HCAR3 (0.44) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL8603087 0.75 HCAR3 (0.42) L3MBTL1HCAR3MAPTALDH1A1LMNA
SCHEMBL8600652 0.75 HCAR3 (0.46) L3MBTL1HCAR3MAPTPOLBPKM
SCHEMBL8596671 0.75 SMN1; SMN2 (0.41) L3MBTL1MAPTPOLBALDH1A1GAA
SCHEMBL8601055 0.73 MAPT (0.39) L3MBTL1MAPTGAASMN1; SMN2TLR8
SCHEMBL8569474 0.73 HTT (0.49) L3MBTL1MAPTPOLBALDH1A1TDP1

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