SCHEMBL8600583

SCHEMBL8600583

C=CCN(CC=C)c1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.31
HTT P42858 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
SCHEMBL8598256 0.80 HTT (0.37) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8598859 0.79 ALDH1A1 (0.38) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8600588 0.76 KDM4E (0.38) MAPTKDM4EHTT
SCHEMBL8595645 0.76 ALDH1A1 (0.38) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL8601106 0.75 PDE4A (0.35) ALDH1A1LMNAMAPTKDM4EHTT
SCHEMBL8597055 0.74 ALDH1A1 (0.36) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8597309 0.71 KMT2A (0.38) LMNAMAPTMAPK1SMN1; SMN2KDM4E
SCHEMBL8600118 0.71 MEN1 (0.33) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL8596102 0.71 HCAR3 (0.42) ALDH1A1LMNAMAPTSMN1; SMN2HTT
SCHEMBL8602563 0.70 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKDM4EHTT

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