SCHEMBL3714355

SCHEMBL3714355

CN(C)c1c(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)cc2ccncc2c1C(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
DYRK1A Q13627 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3710999 0.92 CCNC (0.41) MMP2MMP8MMP13DYRK1ACCNC
SCHEMBL3721418 0.91 CCNC (0.41) DYRK1ACCNCCDK8CDK19
SCHEMBL3718099 0.88 MMP2 (0.44) MMP2MMP8MMP13HDAC3HDAC1
SCHEMBL3714557 0.81 HDAC3 (0.47) MMP2MMP8MMP13DYRK1AHDAC3
SCHEMBL3709482 0.81 CCNC (0.42) MMP2MMP8MMP13CCNCCDK8
SCHEMBL3715125 0.81 CCNC (0.42) CCNCCDK8CDK19
SCHEMBL13188524 0.81 HDAC1 (0.46) DYRK1ACCNCCDK8CDK19HDAC3
SCHEMBL3713020 0.81 PIK3CD (0.41) MMP2MMP8MMP13DYRK1ACCNC
SCHEMBL3718310 0.80 ALDH2 (0.39) HDAC1HDAC6
SCHEMBL3713224 0.77 JAK2 (0.41) 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