SCHEMBL3399146

SCHEMBL3399146

CCC(=O)Cc1ncc(-c2ccc(Br)cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.53
HDAC6 Q9UBN7 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC3 O15379 5/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC4 P56524 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
NOTUM Q6P988 2/20 0.43
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3363016 0.85 NOTUM (0.59) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL18169197 0.75 RXRA (0.76) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL11621352 0.74 HDAC1 (0.49) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL11624937 0.73 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL5639177 0.73 NOTUM (0.51) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL11617789 0.73 HDAC1 (0.51) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL11618042 0.72 HDAC1 (0.48) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL11618040 0.71 HDAC1 (0.47) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL4320653 0.71 HDAC1 (0.68) HDAC1HDAC6HDAC2HDAC3HDAC8
SCHEMBL4329559 0.71 HDAC1 (0.77) HDAC1HDAC6HDAC2HDAC3HDAC8

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed