SCHEMBL13187807

SCHEMBL13187807

C=C(/C=C(\N=C(/N)NO)c1ccc(-c2cccnc2)cc1)C(=O)NO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 8/20 0.50
▸ MKNK2 Q9HBH9 8/20 0.50
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC1 Q13547 4/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ HDAC6 Q9UBN7 4/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ SMPD1 P17405 1/20 0.39
▸ DEGS1 O15121 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 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
SCHEMBL13188480 0.90 MKNK1 (0.47) MKNK1MKNK2LMNAHDAC1SIRT1
SCHEMBL13188490 0.77 MKNK1 (0.46) MKNK1MKNK2SMPD1
SCHEMBL19529458 0.71 MKNK1 (0.47) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL28305277 0.70 MKNK1 (0.71) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL1109339 0.69 MKNK1 (0.73) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL606654 0.69 MKNK1 (1.00) MKNK1MKNK2SIRT1CHEK2
SCHEMBL30855339 0.69 MKNK1 (1.00) MKNK1MKNK2SIRT1CHEK2
SCHEMBL27605181 0.66 MKNK1 (0.76) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL21074472 0.65 MKNK1 (0.67) MKNK1MKNK2NPC1LMNAGAA
SCHEMBL21074576 0.65 MKNK1 (0.67) MKNK1MKNK2NPC1LMNAGAA

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
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