SCHEMBL2641817

SCHEMBL2641817

CN(C)c1ccc(/C=C/c2ccc(CNC(=O)O)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
HDAC3 O15379 3/20 0.43
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MMP8 P22894 1/20 0.42
NAMPT P43490 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL2641822 1.00 KCNH2 (0.47) KCNH2HDAC3HDAC1HDAC2HDAC8
SCHEMBL2641913 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641833 0.79 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641908 0.79 L3MBTL1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641902 0.79 L3MBTL1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641827 0.79 HDAC1 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641917 0.79 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641915 0.79 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641924 0.79 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC4
SCHEMBL2641820 0.76 KCNH2 (0.50) KCNH2HDAC3HDAC1HDAC2HDAC8

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-2011141515-A1 DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed