SCHEMBL3716971

SCHEMBL3716971

CCCCOC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(NC(=O)Nc2cccc3c2ccn3C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.39
AKT1 P31749 1/20 0.37
HDAC1 Q13547 2/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
ALK Q9UM73 4/20 0.35
ITK Q08881 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13188303 0.88 HDAC1 (0.40) ACP1AKT1HDAC1ALK
SCHEMBL3715992 0.84 MAPK1 (0.43) ACP1L3MBTL1
SCHEMBL3711316 0.83 ALK (0.40) ALKL3MBTL1
SCHEMBL3712000 0.83 MAPK1 (0.36) ACP1ALKL3MBTL1
SCHEMBL3709976 0.83 TP53 (0.49) ACP1ALK
SCHEMBL3710995 0.81 L3MBTL1 (0.39) ACP1L3MBTL1
SCHEMBL3721238 0.81 EPHX2 (0.42) L3MBTL1
SCHEMBL3715458 0.80 L3MBTL1 (0.37) ALKL3MBTL1
SCHEMBL3709357 0.80 ACP1 (0.53) ACP1HDAC1ALK
SCHEMBL13188445 0.78 HRH3 (0.41) ACP1L3MBTL1

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed