SCHEMBL2967024

SCHEMBL2967024

c1ccc(OCCCCCCn2cc(-c3ccc(N(c4ccc(-c5cn(CCCCCCOc6ccccc6)nn5)cc4)c4ccc(-c5cn(CCCCCCOc6ccccc6)nn5)cc4)cc3)nn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NAMPT P43490 1/20 0.50
HDAC8 Q9BY41 13/20 0.49
HDAC6 Q9UBN7 12/20 0.49
HDAC3 O15379 10/20 0.49
HDAC4 P56524 10/20 0.49
HDAC1 Q13547 10/20 0.49
HDAC7 Q8WUI4 10/20 0.49
HDAC2 Q92769 10/20 0.49
HDAC10 Q969S8 10/20 0.49
HDAC11 Q96DB2 10/20 0.49
HDAC9 Q9UKV0 10/20 0.49
HDAC5 Q9UQL6 10/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
KDM3A Q9Y4C1 1/20 0.47

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
SCHEMBL2955134 0.99 MEN1 (0.52) MEN1KMT2ANAMPTHDAC8HDAC6
SCHEMBL26193357 0.81 MEN1 (0.60) MEN1KMT2ANAMPTHDAC8HDAC6
SCHEMBL16212761 0.80 NAMPT (0.76) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL16212734 0.80 NAMPT (0.76) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL16212726 0.80 NAMPT (0.76) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL28525427 0.75 CYP19A1 (0.60) MEN1KMT2AL3MBTL1
SCHEMBL4224259 0.74 HDAC8 (0.61) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL2189376 0.74 HDAC8 (0.61) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL16271201 0.74 HDAC8 (0.61) NAMPTHDAC8HDAC6HDAC3HDAC4
SCHEMBL29966023 0.74 MEN1 (0.49) MEN1KMT2AHDAC8HDAC6HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 EP disclosed
US-7772358-B2 Polytriazoles constructed by 1,3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2010-08-10 US disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed
US-20080103273-A1 Polytriazoles constructed by 1, 3-dipolar cycloaddition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-05-01 US disclosed