SCHEMBL13187746

SCHEMBL13187746

O=C(NO)c1cc(NC(=O)c2ccc(O)cc2)nc(-c2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 2/20 0.60
▸ HDAC6 Q9UBN7 6/20 0.49
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ HDAC1 Q13547 5/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ SMPD1 P17405 2/20 0.47
▸ LMNA P02545 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HDAC3 O15379 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ HDAC8 Q9BY41 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NR2E3 Q9Y5X4 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46

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
SCHEMBL13188875 0.92 MKNK1 (0.55) DEGS1HDAC6MKNK1MKNK2HDAC1
SCHEMBL13188800 0.90 HDAC1 (0.55) DEGS1HDAC6HDAC1KDM1ASMPD1
SCHEMBL13188379 0.90 SMPD1 (0.53) DEGS1HDAC6HDAC1KDM1ASMPD1
SCHEMBL13187914 0.90 DEGS1 (0.50) DEGS1HDAC6MKNK1MKNK2HDAC1
SCHEMBL13188871 0.88 DEGS1 (0.58) DEGS1MKNK1MKNK2LMNANPC1
SCHEMBL13188617 0.87 HDAC6 (0.50) DEGS1HDAC6MKNK1MKNK2HDAC1
SCHEMBL13187833 0.86 ADORA3 (0.53) HDAC6MKNK1MKNK2HDAC1SMPD1
SCHEMBL13187987 0.85 MEN1 (0.48) DEGS1HDAC6HDAC1KDM1ASMPD1
SCHEMBL13188018 0.85 DEGS1 (0.46) DEGS1HDAC6MKNK1MKNK2HDAC1
SCHEMBL13188322 0.84 LMNA (0.53) DEGS1HDAC6HDAC1KDM1ASMPD1

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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