SCHEMBL3716111

SCHEMBL3716111

O=C(NOC1CCCCO1)c1cncc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ 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
▸ MMP2 P08253 3/20 0.41
▸ MMP8 P22894 3/20 0.41
▸ MMP13 P45452 3/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ FLT3 P36888 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ DYRK1A Q13627 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
SCHEMBL3708590 0.87 KDM4E (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13187963 0.83 HDAC1 (0.47) MMP2MMP8MMP13MMP9
SCHEMBL3720448 0.81 KDM4E (0.44) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713798 0.80 MMP13 (0.45) MMP2MMP8MMP13MMP9
SCHEMBL3711872 0.79 KDM4E (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713497 0.78 KDM4E (0.40) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713860 0.76 MAPK14 (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3793389 0.76 KCNH2 (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13188624 0.76 GSTP1 (0.41) —
SCHEMBL3714232 0.73 HDAC1 (0.54) MMP2MMP8MMP13MMP9

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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