SCHEMBL3725819

SCHEMBL3725819

Cc1sc(C(=O)O)cc1-c1cn(Cc2ccccc2)nc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
SCD O00767 2/20 0.41
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KMT2A Q03164 3/20 0.39
PTGER1 P34995 1/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL13260110 0.91 KDM4E (0.43) HDAC1HDAC7SCDALDH1A1HDAC3
SCHEMBL3724975 0.80 KDM4E (0.45) HDAC1HDAC7SCDALDH1A1KMT2A
SCHEMBL3721607 0.77 KDM4E (0.43) HDAC1HDAC7SCDALDH1A1L3MBTL1
SCHEMBL3725282 0.76 KMT2A (0.41) HDAC1HDAC7SCDALDH1A1KMT2A
SCHEMBL3725017 0.75 SCD (0.39) HDAC1HDAC7SCDALDH1A1L3MBTL1
SCHEMBL3724448 0.75 POLQ (0.41) HDAC1HDAC7SCDALDH1A1HDAC3
SCHEMBL3722206 0.72 POLQ (0.52) L3MBTL1KMT2AKDM4ESMN1; SMN2
SCHEMBL25243961 0.69 HDAC1 (0.49) HDAC1HDAC7SCDALDH1A1L3MBTL1
SCHEMBL3731459 0.68 L3MBTL1 (0.51) SCDL3MBTL1SCD5POLBKDM4E
SCHEMBL3725838 0.68 KDM4E (0.45) HDAC1HDAC7SCDALDH1A1HDAC3

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-2010093885-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC (US) 2010-08-19 WO disclosed