SCHEMBL3716618

SCHEMBL3716618

Nc1nc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
MMP8 P22894 2/20 0.48
MMP13 P45452 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP9 P14780 1/20 0.46

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
SCHEMBL3721164 0.89 PARP1 (0.47) MMP2MMP8MMP13
SCHEMBL3715918 0.88 MAPK1 (0.45) MMP2MMP8MMP13
SCHEMBL3718122 0.85 MOK (0.48) MMP2MMP8MMP13HDAC1HDAC3
SCHEMBL3714253 0.85 HDAC1 (0.52) MMP2MMP8MMP13HDAC1HDAC3
SCHEMBL3716614 0.84 HDAC1 (0.49) MMP2MMP8MMP13HDAC1HDAC3
SCHEMBL3712338 0.83 MMP2 (0.51) MMP2MMP8MMP13MMP9
SCHEMBL3720519 0.83 JAK1 (0.52) MMP2MMP8MMP13MMP9
SCHEMBL3713800 0.83 HDAC1 (0.44) MMP2MMP8MMP13HDAC1
SCHEMBL3714015 0.82 JAK2 (0.44) MMP2MMP8MMP13HDAC1HDAC3
SCHEMBL13187726 0.82 ALK (0.45) MMP2MMP8MMP13

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