SCHEMBL3710064

SCHEMBL3710064

O=C(Nc1nc(C(=O)NO)cc(-c2ccc(C#Cc3ccc(CN4CCOCC4)cc3)cc2)n1)NC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP2 P08253 3/20 0.47
MMP8 P22894 3/20 0.47
MMP13 P45452 3/20 0.47
MMP9 P14780 2/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AURKA O14965 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK2 P24941 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL13187726 0.87 ALK (0.45) MMP2MMP8MMP13
SCHEMBL3720519 0.87 JAK1 (0.52) MMP2MMP8MMP13MMP9
SCHEMBL3714015 0.86 JAK2 (0.44) MMP2MMP8MMP13
SCHEMBL3718122 0.86 MOK (0.48) MMP2MMP8MMP13MMP9
SCHEMBL3721238 0.85 EPHX2 (0.42) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3713257 0.84 MMP2 (0.42) MMP2MMP8MMP13MMP9
SCHEMBL13187912 0.83 HDAC1 (0.41) MMP2MMP8MMP13
SCHEMBL13188579 0.82 HDAC1 (0.42) MMP2MMP8MMP13
SCHEMBL13188455 0.81 JAK1 (0.56)
SCHEMBL3711204 0.80 TP53 (0.55) KDM4ENPC1RAB9AKMT2ASMN1; SMN2

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