SCHEMBL7790330

SCHEMBL7790330

CC(C)=C1CN(C(=O)Cc2ccccc2)Cc2cc(C(=O)NO)sc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.47
HDAC6 Q9UBN7 5/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NPC1 O15118 2/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.39
RAB9A P51151 1/20 0.38
EP300 Q09472 1/20 0.38
CARM1 Q86X55 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL1174479 0.77 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7797525 0.69 NAMPT (0.50) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL1264115 0.68 HDAC6 (0.60) HDAC1HDAC6HDAC3HDAC10HDAC8
SCHEMBL12869052 0.67 HDAC6 (0.60) HDAC6PRMT5WDR77NPC1KMT2A
SCHEMBL21004729 0.66 L3MBTL1 (0.57) HSD11B1EP300CARM1ALDH1A1TSHR
SCHEMBL1175271 0.65 HDAC6 (0.64) HDAC6HDAC8PRMT5WDR77NPC1
SCHEMBL3183338 0.64 HDAC1 (1.00) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL6490372 0.64 HDAC1 (0.58) HDAC1HDAC8NPC1KMT2AHSD11B1
SCHEMBL19339309 0.64 NAMPT (0.60) HDAC1NPC1KMT2AHSD11B1RAB9A
SCHEMBL1174108 0.64 HDAC6 (0.48) HDAC1HDAC6HDAC3HDAC4HDAC7

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