SCHEMBL3717015

SCHEMBL3717015

COC(=O)c1cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)nc(N(C(C)=O)C(C)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MOK Q9UQ07 1/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL3713943 0.86 MAPK1 (0.45) ACP1MAPK1SMN1; SMN2MMP2MMP8
SCHEMBL3715918 0.85 MAPK1 (0.45) ACP1MAPK1SMN1; SMN2MMP2MMP8
SCHEMBL3710611 0.82 ACACB (0.47) ACP1MAPK1SMN1; SMN2
SCHEMBL3713515 0.81 MAPK1 (0.47) MAPK1SMN1; SMN2MMP2MMP8MMP13
SCHEMBL3714493 0.80 JAK1 (0.53) MMP2MMP8MMP13
SCHEMBL3711281 0.80 ABL1 (0.45) ACP1MAPK1SMN1; SMN2
SCHEMBL3717935 0.79 MAPK1 (0.50) ACP1MAPK1SMN1; SMN2MMP2MMP8
SCHEMBL3711313 0.78 MAPK1 (0.49) ACP1MAPK1SMN1; SMN2MMP2MMP8
SCHEMBL3715035 0.78 SMN1; SMN2 (0.47) MAPK1SMN1; SMN2MMP2MMP8MMP13
SCHEMBL3719071 0.78 MAPK1 (0.49) ACP1MAPK1SMN1; SMN2MOKMMP2

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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