SCHEMBL13187708

SCHEMBL13187708

COc1c(C(=O)NO)cc(C)nc1-c1ccc(C#Cc2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.41
GRM5 P41594 4/20 0.39
PDE10A Q9Y233 1/20 0.39
ERN1 O75460 1/20 0.39
FFAR1 O14842 1/20 0.38
MMP1 P03956 3/20 0.37
MMP9 P14780 3/20 0.37
MMP13 P45452 3/20 0.37
SRC P12931 2/20 0.37
ADAM17 P78536 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
SMPD1 P17405 1/20 0.36

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
SCHEMBL13188472 0.90 MAPT (0.42) CSF1RPDE10AAAK1ABCB1ABCC1
SCHEMBL3709739 0.88 MEN1 (0.41) CSF1RFFAR1MMP1MMP9MMP13
SCHEMBL13187704 0.87 NPC1 (0.44) CSF1RMMP1MMP9MMP13ADAM17
SCHEMBL3713434 0.85 GRM5 (0.48) CSF1RGRM5ERN1FFAR1MMP13
SCHEMBL3712228 0.84 ABCB1 (0.38) CSF1RGRM5AAK1ABCB1ABCC1
SCHEMBL13188481 0.84 PTGES (0.42) CSF1RERN1FFAR1MMP1MMP9
SCHEMBL13188838 0.84 MAPT (0.40) CSF1RGRM5AAK1
SCHEMBL13188547 0.84 MCL1 (0.47)
SCHEMBL3709730 0.78 PLA2G2A (0.44) FFAR1AAK1
SCHEMBL13188626 0.77 AAK1 (0.44) CSF1RERN1FFAR1MMP1MMP9

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 1 patent. 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