SCHEMBL3709739

SCHEMBL3709739

COc1c(C(=O)NO)cc(-c2ccccc2)nc1-c1ccc(C#Cc2cccnc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DHODH Q02127 1/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 2/20 0.39
FFAR1 O14842 1/20 0.39
CSF1R P07333 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 0.96 MAPT (0.42) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL13187704 0.93 NPC1 (0.44) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL3709730 0.90 PLA2G2A (0.44) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL13187708 0.88 CSF1R (0.41) FFAR1CSF1RMMP1MMP9MMP13
SCHEMBL3712228 0.88 ABCB1 (0.38) ALDH1A1NPC1RAB9ADHODHCSF1R
SCHEMBL13188547 0.86 MCL1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL13188481 0.86 PTGES (0.42) FFAR1CSF1RMMP1MMP9MMP13
SCHEMBL13188838 0.86 MAPT (0.40) MEN1KMT2AALDH1A1TP53NPC1
SCHEMBL3713520 0.81 GRM5 (0.46) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL13188521 0.80 ABCB1 (0.44) ALDH1A1NPC1RAB9AMAPTFFAR1

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