SCHEMBL10906623

SCHEMBL10906623

C=CCNC(=S)N(CC(C)(C)C(=O)O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ FAAH O00519 1/20 0.30

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
SCHEMBL10906183 0.75 MAPT (0.40) GAAALDH1A1TSHRL3MBTL1POLB
SCHEMBL10903598 0.73 TSHR (0.42) GAAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL10906622 0.72 GAA (0.36) GAAALDH1A1TSHRL3MBTL1HPGD
SCHEMBL10906616 0.68 ALDH1A1 (0.37) GAAALDH1A1TSHRL3MBTL1HPGD
SCHEMBL22769175 0.67 ALDH1A1 (0.50) GAAALDH1A1TSHRL3MBTL1POLB
SCHEMBL9555565 0.67 — —
SCHEMBL10905410 0.67 CYP3A4 (0.30) —
SCHEMBL10903593 0.67 ACLY (0.31) —
SCHEMBL10906624 0.66 GAA (0.38) GAAALDH1A1TSHRL3MBTL1HTT
SCHEMBL13007121 0.64 ALDH1A1 (0.38) GAAALDH1A1TSHRHPGDHTT

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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