SCHEMBL3714557

SCHEMBL3714557

O=C(NO)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)cc2ccncc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MMP2 P08253 3/20 0.46
MMP8 P22894 3/20 0.46
MMP13 P45452 3/20 0.46
DYRK1A Q13627 1/20 0.45
MMP9 P14780 2/20 0.43

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
SCHEMBL3713512 0.89 TBK1 (0.43) MMP2MMP8MMP13DYRK1A
SCHEMBL3714490 0.84 HRH3 (0.47) MMP2MMP8MMP13DYRK1A
SCHEMBL3718099 0.83 MMP2 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3793952 0.82 HDAC1 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3790506 0.82 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3714355 0.81 MMP2 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3786230 0.80 HDAC1 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL15905202 0.79 KCNH2 (0.52) HDAC1DYRK1A
SCHEMBL3714232 0.78 HDAC1 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3793731 0.78 SMYD2 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6

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