SCHEMBL13188454

SCHEMBL13188454

O=C(NO)c1cc(-c2ccc(-c3ccc(CN4CCOCC4)cc3)cc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.56
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC3 O15379 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ MOK Q9UQ07 6/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ PDE10A Q9Y233 1/20 0.47
▸ ACP1 P24666 2/20 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
SCHEMBL13188262 0.87 GRM2 (0.55) GRM2HDAC1MOKALDH1A1PIK3CD
SCHEMBL3713979 0.81 GRM2 (0.51) GRM2MOKALDH1A1KDM4ELMNA
SCHEMBL13187687 0.78 GRM2 (0.59) GRM2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13188618 0.75 MMP2 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13188540 0.74 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13187832 0.73 HDAC6 (0.54) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13187814 0.73 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13188436 0.72 DHODH (0.54) GRM2HDAC1HDAC3HDAC2HDAC8
SCHEMBL18895622 0.72 GRM2 (0.82) GRM2
SCHEMBL14921332 0.72 GRM2 (1.00) GRM2

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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