SCHEMBL3786840

SCHEMBL3786840

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CCR6 P51684 1/20 0.47
ALDH1A1 P00352 7/20 0.45
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
GAA P10253 1/20 0.44
SGK1 O00141 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE4B Q07343 1/20 0.43
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SYK P43405 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL3788064 0.89 MAPT (0.50) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL3789178 0.89 KDM4E (0.60) KDM4EL3MBTL1MAPK1TDP1CCR6
SCHEMBL12118859 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1MAPK1ALDH1A1HPGD
SCHEMBL29904820 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1CCR6ALDH1A1SMN1; SMN2
SCHEMBL12118854 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1CCR6ALDH1A1SMN1; SMN2
SCHEMBL14894867 0.77 PLA2G2A (0.49) KDM4EL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL29904837 0.77 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL14760220 0.77 ALDH1A1 (0.50) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21418350 0.76 ALDH1A1 (0.49) KDM4EL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1694605 0.75 PDE4B (0.50) KDM4EL3MBTL1MAPK1TDP1ALDH1A1

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