SCHEMBL10740552

SCHEMBL10740552

N#CC(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ACHE P22303 2/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ ALDH1A1 P00352 11/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ GAA P10253 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL11555850 0.80 MAPT (0.61) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL24994429 0.78 ALDH1A1 (0.62) MAPTLMNAACHEKDM4EL3MBTL1
SCHEMBL18155146 0.78 MAPT (0.58) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL28867034 0.77 MAPT (0.60) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL20602877 0.74 ALDH1A1 (0.54) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL9162336 0.74 ALDH1A1 (0.83) ACHEKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2711990 0.74 MAPT (0.77) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL7800482 0.74 GAA (0.72) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL690222 0.72 MAPT (0.63) MAPTLMNAMAPK1TDP1KDM4E
SCHEMBL2712983 0.72 MAPT (0.63) MAPTLMNAMAPK1TDP1KDM4E

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
US-4699908-A Alkyl substituted pyridazinones and pharmaceutical compositions CIBA-GEIGY CORPORATION (US) 1987-10-13 — — US disclosed
US-4629789-A Alkyl substituted pyridazinones and pharmaceutical compositions CIBA-GEIGY CORPORATION (US) 1986-12-16 — — US disclosed
EP-0180542-A2 Alkyl substituted pyridazinones, processes for producing them, pharmaceutical preparations containing these compounds, and the use thereof CIBA-GEIGY AG (CH) 1986-05-07 — — EP disclosed
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