SCHEMBL3711872

SCHEMBL3711872

COc1cc(C(=O)NOC2CCCCO2)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

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
▸ ACP1 P24666 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ITK Q08881 1/20 0.38
▸ AXL P30530 1/20 0.38
▸ MERTK Q12866 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
SCHEMBL3713497 0.93 KDM4E (0.40) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3720448 0.90 KDM4E (0.44) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713860 0.89 MAPK14 (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13188498 0.84 HDAC1 (0.49) MMP2MMP8MMP13MMP9
SCHEMBL3712370 0.81 ACP1 (0.47) KMT2ASMN1; SMN2ACP1
SCHEMBL3793389 0.80 KCNH2 (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3716111 0.79 KDM4E (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3711417 0.78 MMP13 (0.43) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3708590 0.77 KDM4E (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13187707 0.76 HDAC1 (0.48) KMT2AMMP2MMP8MMP13

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
Send feedback