SCHEMBL8600759

SCHEMBL8600759

C=CCN(CC=C)c1cc(N)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
EGFR P00533 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HCAR3 P49019 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH3A1 P30838 2/20 0.32
MEN1 O00255 2/20 0.30
POLB P06746 2/20 0.30
MCL1 Q07820 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL5668475 0.78 TDP1 (0.49) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8602043 0.77 KDM4E (0.38) ALDH1A1MAPTLMNAMAPK1KDM4E
SCHEMBL8599316 0.77 KDM4E (0.36) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL8596779 0.76 EGFR (0.38) ALDH1A1MAPTLMNAKMT2AEGFR
SCHEMBL8597055 0.75 ALDH1A1 (0.36) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8599937 0.72 MAPT (0.48) ALDH1A1MAPTLMNAKMT2AEGFR
SCHEMBL8595123 0.72 EGFR (0.36) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8597271 0.72 ALDH1A1 (0.34) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8601697 0.72 ALDH1A1 (0.42) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8564866 0.71 EGFR (0.41) ALDH1A1MAPTLMNAMAPK1KMT2A

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