SCHEMBL8601697

SCHEMBL8601697

C=CCN(CC=C)c1cnccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 3/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH3A1 P30838 1/20 0.33
POLB P06746 1/20 0.32
CHUK O15111 1/20 0.32

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
SCHEMBL8597975 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL8596770 0.74 KMT2A (0.39) ALDH1A1MAPTMAPK1LMNAHTT
SCHEMBL22858571 0.74 MAPT (0.44) ALDH1A1MAPTMAPK1HTTRAB9A
SCHEMBL8598894 0.73 MEN1 (0.39) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL8597271 0.73 ALDH1A1 (0.34) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5668475 0.73 TDP1 (0.49) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL8600759 0.72 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL5164284 0.71 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNASMN1; SMN2
SCHEMBL27446164 0.70 ALDH1A1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL8597959 0.70 PDE10A (0.44) ALDH1A1MAPTMAPK1LMNASMN1; 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