SCHEMBL31341208

SCHEMBL31341208

CC(C)(C)OC(=O)Nc1cccc(/C=N/O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ CYP17A1 P05093 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KAT6A Q92794 1/20 0.42
▸ MIF P14174 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ SYK P43405 1/20 0.41

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
SCHEMBL29488493 0.84 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL16960914 0.84 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL694391 0.84 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14090975 0.83 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31341175 0.82 MIF (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7372333 0.82 MIF (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2744305 0.82 MIF (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29029431 0.82 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL10262546 0.80 PKM (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL27034825 0.80 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2025048243-A1 NOVEL ISOXAZOLE COMPOUND AS TM4SF5-SPECIFIC INHIBITOR AND USE THEREOF 서울대학교산학협력단 2025-03-06 — — WO disclosed
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