SCHEMBL2408848

SCHEMBL2408848

CC(C)(CNC(=O)c1cccs1)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 4/20 0.47
HDAC8 Q9BY41 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MCOLN3 Q8TDD5 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
SCHEMBL2407908 0.79 LMNA (0.55) HDAC1HDAC6HDAC8HDAC3GAA
SCHEMBL2410827 0.78 HDAC1 (0.56) HDAC1HDAC6HDAC8RAB9AHDAC3
SCHEMBL2415976 0.75 HDAC6 (0.49) HDAC1HDAC6HDAC8HDAC3
SCHEMBL2410188 0.72 HDAC6 (0.44) HDAC1HDAC6HDAC8HPGDNPC1
SCHEMBL1884686 0.72
SCHEMBL2407744 0.71 HDAC1 (0.58) HDAC1HDAC6HDAC8ALDH1A1KDM4E
SCHEMBL2411097 0.71 HDAC6 (0.67) HDAC1HDAC6HDAC8ALDH1A1HPGD
SCHEMBL14454655 0.70 HDAC6 (0.60) HDAC1HDAC6HDAC8HDAC3
SCHEMBL445528 0.70 LMNA (0.70) HDAC1ALDH1A1HPGDKDM4ENPC1
SCHEMBL2405674 0.70 HDAC1 (0.54) TSHRHDAC1HDAC6HDAC8ALDH1A1

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-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO disclosed