SCHEMBL7829264

SCHEMBL7829264

CC(=O)ONC(=O)CCCCCCc1ccc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYSLTR2 Q9NS75 5/20 0.46
CYSLTR1 Q9Y271 5/20 0.46
CYP1A2 P05177 1/20 0.46
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7832872 1.00 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7832214 0.89 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7835365 0.89 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7832242 0.87 HDAC1 (0.49) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7835374 0.87 HDAC1 (0.52) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7829656 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7820464 0.87 HDAC1 (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8653690 0.83 HDAC1 (0.47) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7820996 0.83 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7831767 0.83 HDAC1 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7

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-0737671-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-12-12 EP disclosed
US-5804601-A USEFUL FOR TREATING ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, BACTERIAL OR VIRAL MENINGITIS, DOWN'S SYNDROME AND PARKINSON'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-08 US disclosed
EP-0737671-A2 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-10-16 EP disclosed