SCHEMBL3710589

SCHEMBL3710589

CC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ MOK Q9UQ07 4/20 0.48
▸ MMP13 P45452 5/20 0.47
▸ MMP2 P08253 4/20 0.47
▸ MMP8 P22894 4/20 0.47
▸ MMP9 P14780 3/20 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
SCHEMBL13187973 0.94 HDAC1 (0.55) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3719071 0.89 MAPK1 (0.49) MOKMMP13MMP2MMP8MMP9
SCHEMBL3720406 0.87 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13188496 0.87 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3714261 0.86 DYRK1A (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3714253 0.85 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13188498 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL3716223 0.84 ACP1 (0.56) HDAC1
SCHEMBL3718122 0.84 MOK (0.48) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13188784 0.82 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8HDAC6

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 1 patent. 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
Send feedback