SCHEMBL11184152

SCHEMBL11184152

CSCCC(NC(=O)OCc1ccccc1)C(=O)Nc1nncs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ MME P08473 1/20 0.50
▸ ANPEP P15144 1/20 0.50
▸ HDAC1 Q13547 6/20 0.49
▸ HDAC2 Q92769 5/20 0.49
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC4 P56524 4/20 0.47
▸ HDAC3 O15379 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC8 Q9BY41 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ FNTA P49354 2/20 0.47
▸ FNTB P49356 2/20 0.47
▸ CTSL P07711 2/20 0.46
▸ CTSB P07858 1/20 0.46
▸ CTSK P43235 1/20 0.46

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
SCHEMBL11184144 1.00 GLS (0.52) GLSCA1MMEANPEPHDAC1
SCHEMBL11184923 0.86 TACR1 (0.57) GLSHDAC8CTSLCTSBCTSK
SCHEMBL11194939 0.85 CTSK (0.62) CTSLCTSBCTSKCTSS
SCHEMBL11194945 0.85 CTSK (0.62) CTSLCTSBCTSKCTSS
SCHEMBL11189117 0.81 MEN1 (0.53) CA1CTSLCTSBCTSKCTSS
SCHEMBL11189108 0.81 MEN1 (0.53) CA1CTSLCTSBCTSKCTSS
SCHEMBL13043797 0.80 CA1 (0.62) CA1MMEANPEPFNTAFNTB
SCHEMBL11705092 0.79 FNTA (0.62) CA1MMEANPEPFNTAFNTB
SCHEMBL11705090 0.79 FNTA (0.62) CA1MMEANPEPFNTAFNTB
SCHEMBL7419753 0.78 MAPT (0.59) HDAC1HDAC2HDAC6HDAC4HDAC3

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-4382142-A ANTITUMOR AND ANTICARCINOGENIC AGENTS; LEUKEMIA KOWA CO., LTD. (JP) 1983-05-03 — — US disclosed
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