SCHEMBL10906136

SCHEMBL10906136

CN(C)N(CCCC(=O)O)C(=S)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABAT P80404 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ICMT O60725 1/20 0.41
▸ ALB P02768 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL10906603 0.96 LTA4H (0.46) LTA4HL3MBTL1ABATPPARAGAA
SCHEMBL10905465 0.85 LTA4H (0.50) LTA4HL3MBTL1PPARAMAPTICMT
SCHEMBL10905444 0.83 KMT2A (0.46) L3MBTL1ABATGAAMAPTHTT
SCHEMBL10907540 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10905605 0.75 LMNA (0.59) GAAMAPTHTTALDH1A1CYP1A2
SCHEMBL10903602 0.74 HDAC3 (0.47) PPARAMAPTALDH1A1HDAC3HDAC4
SCHEMBL10906183 0.74 MAPT (0.40) L3MBTL1GAAMAPTALDH1A1
SCHEMBL10906193 0.73 ALOX5 (0.51) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL10905453 0.72 MTOR (0.40) GAAMAPTALDH1A1CYP1A2
SCHEMBL10906601 0.72 GAA (0.49) L3MBTL1ABATGAAHDAC3HDAC4

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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