SCHEMBL3720448

SCHEMBL3720448

O=C(NOC1CCCCO1)c1cc(Cl)nc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP13 P45452 5/20 0.43
▸ MMP2 P08253 4/20 0.43
▸ MMP8 P22894 4/20 0.43
▸ MMP9 P14780 3/20 0.42
▸ ACVR1 Q04771 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL3711872 0.90 KDM4E (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3711417 0.88 MMP13 (0.43) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713497 0.88 KDM4E (0.40) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713860 0.85 MAPK14 (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3793389 0.82 KCNH2 (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3716111 0.81 KDM4E (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3709419 0.79 PARP1 (0.45) MMP13MMP2MMP8MMP9
SCHEMBL3708590 0.78 KDM4E (0.41) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3721263 0.78 TACR2 (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3714253 0.74 HDAC1 (0.52) MMP13MMP2MMP8MMP9

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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