SCHEMBL10906616

SCHEMBL10906616

C=CCNC(=S)N(CCC#N)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 1/20 0.32

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 0.72 MAPT (0.40) ALDH1A1GAATSHRL3MBTL1
SCHEMBL10903598 0.71 TSHR (0.42) ALDH1A1GAATSHR
SCHEMBL10905605 0.71 LMNA (0.59) ALDH1A1GAALMNAKMT2AHPGD
SCHEMBL22769175 0.70 ALDH1A1 (0.50) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL9555565 0.70 — —
SCHEMBL10906622 0.67 GAA (0.36) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL4272718 0.65 ALDH1A1 (0.56) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL10905758 0.63 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AL3MBTL1HPGD
SCHEMBL6517665 0.63 CYP1A2 (0.53) ALDH1A1GAATSHRLMNAKMT2A
SCHEMBL10907585 0.62 CASP1 (0.45) ALDH1A1GAATSHRLMNAKMT2A

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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