SCHEMBL11227399

SCHEMBL11227399

N#CC(c1ccsc1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ ACHE P22303 7/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ OPRL1 P41146 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ AR P10275 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL9162336 0.81 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL2781893 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL9168254 0.76 ACHE (0.64) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL24994428 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL1019672 0.74 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL2784285 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL7296589 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL3114045 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL22854282 0.74 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E
SCHEMBL15797437 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2ACHEL3MBTL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 — — US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 — — US disclosed
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