SCHEMBL3718099

SCHEMBL3718099

Nc1c(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)cc2ccncc2c1C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
PIK3CD O00329 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 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
SCHEMBL3713020 0.91 PIK3CD (0.41) MMP2MMP8MMP13PIK3CD
SCHEMBL3709482 0.90 CCNC (0.42) MMP2MMP8MMP13PIK3CD
SCHEMBL3714355 0.88 MMP2 (0.42) MMP2MMP8MMP13HDAC3HDAC1
SCHEMBL3713224 0.86 JAK2 (0.41) MMP2MMP8MMP13PIK3CD
SCHEMBL3714557 0.83 HDAC3 (0.47) MMP2MMP8MMP13HDAC3HDAC1
SCHEMBL3715125 0.82 CCNC (0.42)
SCHEMBL13188524 0.81 HDAC1 (0.46) PIK3CDHDAC3HDAC1HDAC2HDAC8
SCHEMBL3710999 0.81 CCNC (0.41) MMP2MMP8MMP13
SCHEMBL3721418 0.80 CCNC (0.41)
SCHEMBL13188416 0.79 HRH3 (0.48) PIK3CD

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