SCHEMBL6607315

SCHEMBL6607315

CCC(CS(=O)(=O)Cc1cnc2ccccc2c1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SYK P43405 1/20 0.42
ATM Q13315 2/20 0.40
MMP9 P14780 2/20 0.40
MMP1 P03956 1/20 0.40
FCER2 P06734 1/20 0.40
MMP3 P08254 1/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 1/20 0.39
CTSB P07858 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
SCHEMBL6607307 1.00 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
Hydrochloric Acid SCHEMBL6404907 0.94 HDAC4 (0.44) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6399024 0.93 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6404253 0.93 HDAC4 (0.47) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6404184 0.93 HDAC4 (0.42) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6606820 0.91 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6400017 0.91 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6399795 0.91 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6606807 0.91 HDAC4 (0.45) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6606598 0.90 HDAC4 (0.43) HDAC4HDAC1HDAC3HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289980-B1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2004-11-17 EP disclosed
CN-1440400-A Bicyelyl or heterobicyclylmethanesulfonylamino-substituted N-hydroxyformamides SMITHKLINE BEECHAMP P L C (GB) 2003-09-03 CN disclosed