SCHEMBL7796730

SCHEMBL7796730

CC1(C)CN(C(N)=O)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.46
HDAC8 Q9BY41 7/20 0.34
HDAC3 O15379 5/20 0.34
HDAC4 P56524 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC7 Q8WUI4 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC11 Q96DB2 5/20 0.34
HDAC9 Q9UKV0 5/20 0.34
HDAC5 Q9UQL6 5/20 0.34
KDM1A O60341 3/20 0.33
RYR2 Q92736 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL7797154 0.82 HDAC6 (0.42) HDAC6HDAC8HDAC1KDM1AALDH1A1
SCHEMBL1174569 0.80 HDAC6 (0.50) HDAC6HDAC1ALDH1A1
SCHEMBL1174479 0.79 HDAC1 (0.48) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL1174439 0.79 HPGD (0.47) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL7796732 0.78 NAMPT (0.40) HDAC6ALDH1A1HPGDMAPK1
SCHEMBL7797186 0.78 HDAC6 (0.54) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL7799029 0.78 NPC1 (0.52) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL1173764 0.78 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL7797158 0.78 HRH4 (0.56) HDAC6HDAC8HDAC3HDAC4HDAC1
SCHEMBL12869062 0.78 HDAC6 (0.39) HDAC6ALDH1A1MAPK1

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-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 WO disclosed