SCHEMBL8597271

SCHEMBL8597271

C=CCN(CC=C)c1cncc(N)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL8599145 0.76 KDM4E (0.36) TDP1
SCHEMBL8600107 0.76 KDM4E (0.36) ALDH1A1LMNASMN1; SMN2
SCHEMBL8598691 0.75 IMPDH2 (0.32) ALDH1A1MAPTTDP1
SCHEMBL8597903 0.75 GSK3A (0.41) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8566844 0.74 MEN1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL8598256 0.74 HTT (0.37) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL17555458 0.73 ALDH1A1 (0.36) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL8601697 0.73 ALDH1A1 (0.42) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8599537 0.72 KMT2A (0.36) ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8600759 0.72 ALDH1A1 (0.41) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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