SCHEMBL13187973

SCHEMBL13187973

CC(=O)Nc1cc(C(=O)NO)cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC3 O15379 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ MOK Q9UQ07 8/20 0.49
▸ ADORA3 P0DMS8 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL3710589 0.94 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13187747 0.88 SMN1; SMN2 (0.53) MOKADORA3SMN1; SMN2LMNANPC1
SCHEMBL13188892 0.88 HDAC6 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13188494 0.86 HDAC6 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13188396 0.85 DYRK1A (0.57) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13188605 0.84 HDAC6 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL13188376 0.83 ACP1 (0.58) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3719071 0.82 MAPK1 (0.49) MOKSMN1; SMN2
SCHEMBL13188496 0.80 HDAC1 (0.48) HDAC1HDAC6HDAC3HDAC2HDAC8
SCHEMBL3720406 0.80 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC2HDAC8

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
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