SCHEMBL3789178

SCHEMBL3789178

CCOC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2[nH]ncc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.60
L3MBTL1 Q9Y468 4/20 0.60
MAPK1 P28482 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
CCR6 P51684 1/20 0.57
ALDH1A1 P00352 7/20 0.51
HPGD P15428 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ATM Q13315 2/20 0.50
MAPT P10636 6/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL3786840 0.89 KDM4E (0.48) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL3788064 0.89 MAPT (0.50) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL3794726 0.80 SGK1 (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31531878 0.78 KDM4E (0.79) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL12118854 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1CCR6ALDH1A1SMN1; SMN2
SCHEMBL29904820 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1CCR6ALDH1A1SMN1; SMN2
SCHEMBL12118859 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1MAPK1ALDH1A1HPGD
SCHEMBL10678483 0.78 KDM4E (0.79) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL14894867 0.77 PLA2G2A (0.49) KDM4EL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL29904837 0.77 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1HPGDSMN1; 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