SCHEMBL8047185

SCHEMBL8047185

N#CC(CCCCC(=O)NO)(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 9/20 0.46
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC7 Q8WUI4 2/20 0.46
▸ HDAC10 Q969S8 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC9 Q9UKV0 2/20 0.46
▸ HDAC5 Q9UQL6 2/20 0.46
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39

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
SCHEMBL8047270 0.99 HDAC1 (0.48) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8046650 0.83 L3MBTL1 (0.46) POLBLMNAMAPTNFKB1NFKB2
SCHEMBL8035390 0.82 L3MBTL1 (0.45) POLBLMNAMAPTNFKB1NFKB2
SCHEMBL8044651 0.82 HDAC1 (0.50) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8035137 0.81 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8035139 0.81 HDAC1 (0.51) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8049980 0.80 HDAC6 (0.50) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8049568 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8049521 0.75 HDAC6 (0.49) HDAC1HDAC2HDAC6HDAC8HDAC3
SCHEMBL8045870 0.74 HDAC6 (0.49) HDAC1HDAC2HDAC6HDAC8HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 — — EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 — — US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 — — EP disclosed
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