SCHEMBL10551668

SCHEMBL10551668

N#CC(c1ccc(-n2cncn2)nc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ACHE P22303 4/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAPT P10636 1/20 0.35

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
SCHEMBL10468461 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18274496 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL15797521 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL10550925 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL10550033 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL9162336 0.73 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL16461149 0.72 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18274507 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18240274 0.72 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL9363512 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 — — EP disclosed
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