SCHEMBL10737848

SCHEMBL10737848

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 10/20 0.44
▸ LMNA P02545 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTT P42858 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL10739555 0.74 MAPT (0.56) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL5250470 0.74 MAPT (0.61) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL11622951 0.73 ALDH1A1 (0.41) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL29937559 0.72 MAPT (0.68) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL3485340 0.72 MAPT (0.68) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL11555850 0.69 MAPT (0.61) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL28867034 0.69 MAPT (0.60) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL23850714 0.68 MAPT (0.62) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL31588237 0.68 MAPT (0.62) MAPTL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL259406 0.68 MAPT (0.69) MAPTL3MBTL1KDM4EALDH1A1LMNA

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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