SCHEMBL10548784

SCHEMBL10548784

N#CC(c1ccc(Nc2ccccc2)nc1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ACHE P22303 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLK4 O00444 1/20 0.40
▸ OPRL1 P41146 1/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 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
SCHEMBL2781893 0.76 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL15797521 0.76 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18274496 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL9162336 0.74 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18274507 0.73 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL18240274 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL9363512 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL18274457 0.71 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL12701471 0.71 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2ACHEL3MBTL1MEN1
SCHEMBL10550033 0.70 ALDH1A1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 — — US disclosed
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