SCHEMBL18019208

SCHEMBL18019208

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c1cccc2cc(C(=O)NC(C)(C)CC(C)(C)C)ncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC3 O15379 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
BCL2 P10415 6/20 0.36
CTSK P43235 7/20 0.36
CTSS P25774 6/20 0.36
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
CTSL P07711 1/20 0.34
P4HTM Q9NXG6 1/20 0.33

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
SCHEMBL19792933 0.91 EGFR (0.39) HDAC4HDAC1BCL2CTSKCTSS
SCHEMBL19801192 0.78 LARS1 (0.46) P4HTM
SCHEMBL19801191 0.78 P4HTM (0.37) ALDH1A1MAPTP4HTM
SCHEMBL17977191 0.74 POLB (0.41) ALDH1A1MAPTP4HTM
SCHEMBL31650938 0.74 POLB (0.41) ALDH1A1MAPTP4HTM
SCHEMBL18019121 0.71 CTSK (0.48) HDAC4HDAC1BCL2CTSKCTSS
SCHEMBL17977185 0.69 POLB (0.44) ALDH1A1MAPT
SCHEMBL12213922 0.69 BCL2 (0.61) HDAC4HDAC1BCL2CTSKCTSS
SCHEMBL17977196 0.69 POLB (0.44) ALDH1A1MAPT
SCHEMBL19792931 0.69 MMP1 (0.43) BCL2CTSKCTSSCTSL

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
WO-2016129983-A1 NOVEL N-ACYL-ARYLSULFONAMIDE DERIVATIVES AS AMINOACYL-TRNA SYNTHETASE INHIBITORS LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2016-08-18 WO disclosed