SCHEMBL10550033

SCHEMBL10550033

N#CC(c1ccc(-n2cnc3ccccc32)nc1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ MKNK1 Q9BUB5 5/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.44
▸ ACHE P22303 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ HSF1 Q00613 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 2/20 0.38

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
SCHEMBL10550925 0.78 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ACHERAB9AL3MBTL1
SCHEMBL10468461 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL10551668 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACHEMAPTL3MBTL1
SCHEMBL15797521 0.72 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEMAPTL3MBTL1
SCHEMBL18274496 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ACHERAB9AL3MBTL1
SCHEMBL9162336 0.71 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHERAB9AL3MBTL1
SCHEMBL10548784 0.70 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACHERAB9AL3MBTL1
SCHEMBL2781893 0.70 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18274507 0.69 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHERAB9AL3MBTL1
SCHEMBL18240274 0.69 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1

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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