SCHEMBL3721263

SCHEMBL3721263

O=C(NOC1CCCCO1)c1nc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 2/20 0.42
▸ TACR3 P29371 2/20 0.42
▸ MMP2 P08253 3/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MMP9 P14780 2/20 0.39
▸ ACP1 P24666 2/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ MOK Q9UQ07 2/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL13188618 0.83 MMP2 (0.47) MMP2MMP8MMP13MMP9ALDH1A1
SCHEMBL3713277 0.81 ACP1 (0.44) MMP2MMP8MMP13ACP1MOK
SCHEMBL3720448 0.78 KDM4E (0.44) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3711872 0.76 KDM4E (0.42) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3793389 0.76 KCNH2 (0.42) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3713497 0.74 KDM4E (0.40) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3716111 0.73 KDM4E (0.42) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3708590 0.72 KDM4E (0.41) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3713860 0.72 MAPK14 (0.41) MMP2MMP8MMP13KDM4ENPC1
SCHEMBL3711417 0.69 MMP13 (0.43) MMP2MMP8MMP13KDM4ENPC1

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
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