SCHEMBL3711417

SCHEMBL3711417

O=C(OC1CCCCO1)c1cc(Cl)nc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 6/20 0.43
▸ MMP2 P08253 5/20 0.43
▸ MMP8 P22894 5/20 0.43
▸ MMP9 P14780 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3720448 0.88 KDM4E (0.44) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3709419 0.81 PARP1 (0.45) MMP13MMP2MMP8MMP9HRH3
SCHEMBL3711872 0.78 KDM4E (0.42) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3713497 0.76 KDM4E (0.40) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3717935 0.75 MAPK1 (0.50) MMP13MMP2MMP8MMP9KMT2A
SCHEMBL3713860 0.74 MAPK14 (0.41) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3711313 0.74 MAPK1 (0.49) MMP13MMP2MMP8KMT2ASMN1; SMN2
SCHEMBL3793389 0.73 KCNH2 (0.42) MMP13MMP2MMP8MMP9KDM4E
SCHEMBL3714558 0.73 JAK1 (0.49) MMP13MMP2MMP8MMP9KMT2A
SCHEMBL3719071 0.72 MAPK1 (0.49) MMP13MMP2MMP8MMP9SMN1; SMN2

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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