SCHEMBL13188322

SCHEMBL13188322

O=C(NO)c1cc(NC(=O)c2cnccn2)nc(-c2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ HDAC6 Q9UBN7 6/20 0.46
▸ SMPD1 P17405 2/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ CDC25A P30304 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ CDC25C P30307 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ DEGS1 O15121 1/20 0.46
▸ GRM5 P41594 1/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL13187838 0.88 RAB9A (0.53) LMNAKMT2AMEN1CDC25ACDC25B
SCHEMBL3716108 0.87 LMNA (0.45) LMNAHDAC6KMT2AMEN1CDC25A
SCHEMBL13188800 0.87 HDAC1 (0.55) LMNAHDAC6SMPD1DEGS1HDAC1
SCHEMBL13188625 0.87 HDAC6 (0.45) HDAC6SMPD1KMT2ADEGS1HDAC1
SCHEMBL13188617 0.86 HDAC6 (0.50) HDAC6SMPD1DEGS1HDAC1KDM1A
SCHEMBL13188500 0.85 HDAC6 (0.44) HDAC6SMPD1KMT2ADEGS1HDAC1
SCHEMBL13187833 0.85 ADORA3 (0.53) HDAC6SMPD1HDAC1NPC1RAB9A
SCHEMBL13188875 0.84 MKNK1 (0.55) LMNAHDAC6SMPD1KMT2ADEGS1
SCHEMBL13187746 0.84 DEGS1 (0.60) LMNAHDAC6SMPD1KMT2ADEGS1
SCHEMBL13187914 0.82 DEGS1 (0.50) LMNAHDAC6SMPD1KMT2ADEGS1

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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