SCHEMBL8045859

SCHEMBL8045859

N#CC(CCCCCC(=O)NO)(c1ccccc1)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.51
HDAC1 Q13547 6/20 0.49
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 0.49
HDAC2 Q92769 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC8 Q9BY41 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49

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
SCHEMBL8049521 0.99 HDAC6 (0.49) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8035137 0.87 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8035139 0.87 HDAC1 (0.51) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8044651 0.85 HDAC1 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8047487 0.84 HDAC6 (0.42) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8052916 0.84 HDAC6 (0.41) HDAC6
SCHEMBL8035702 0.81 SMN1; SMN2 (0.40) HDAC6
SCHEMBL8049980 0.81 HDAC6 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8049568 0.81 HDAC1 (0.50) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL8892352 0.80 BLM (0.45)

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 5 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 claimed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP claimed
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