SCHEMBL10906601

SCHEMBL10906601

CC(CCC(=O)O)N(C(=S)Nc1ccccc1)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.49
▸ MTOR P42345 1/20 0.43
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC7 Q8WUI4 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC10 Q969S8 3/20 0.41
▸ HDAC11 Q96DB2 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC9 Q9UKV0 3/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ ABAT P80404 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 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
SCHEMBL10905765 0.78 HDAC8 (0.46) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10906611 0.76 KMT2A (0.44) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10903597 0.74 GAA (0.35) GAAL3MBTL1SMN1; SMN2
SCHEMBL10906136 0.72 LTA4H (0.45) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10905761 0.72 MAPT (0.41) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL10905468 0.71 MTOR (0.51) MTORHDAC3HDAC4HDAC1HDAC7
SCHEMBL10906603 0.71 LTA4H (0.46) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL27477626 0.70 MME (0.58) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL10906180 0.70 GABRP (0.41) —
SCHEMBL10906588 0.69 GABRP (0.43) LMNA

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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