SCHEMBL8626188

SCHEMBL8626188

CC1C=C([N+](=O)[O-])CCC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.33
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GAA P10253 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL30234237 0.71 NOS1 (0.33)
SCHEMBL28099376 0.68 MAPT (0.31) MAPTALDH1A1LMNAPOLB
SCHEMBL8602719 0.67
SCHEMBL29979672 0.66 MEN1 (0.39) GAAMAPTALDH1A1TDP1MEN1
SCHEMBL35718 0.64
SCHEMBL8505902 0.64
SCHEMBL18780236 0.63 PNMT (0.32)
SCHEMBL1697297 0.63
SCHEMBL6589772 0.63
SCHEMBL257378 0.63

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867277-A Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof 韩国科学技术研究院 2023-03-28 CN disclosed
CN-102548996-B Automated radio synthesizes GE HEALTHCARE LTD. (GB) 2016-06-01 CN disclosed
EP-0672646-B1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL CO (JP) 1998-06-10 EP disclosed
US-5639895-A Process for producing β-nitroenamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
US-5597940-A REACTING NITROOLEFIN WITH HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0672646-A1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-20 EP disclosed