SCHEMBL30692811

SCHEMBL30692811

O=C(Cc1ccccc1)Nc1ccc(Br)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.68
HDAC1 Q13547 5/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
HDAC8 Q9BY41 4/20 0.68
HDAC4 P56524 3/20 0.68
HDAC6 Q9UBN7 3/20 0.68
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
POLB P06746 1/20 0.63
HSD17B10 Q99714 1/20 0.63
EPHX2 P34913 1/20 0.60
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK5 Q00535 1/20 0.56
GAA P10253 1/20 0.56

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
SCHEMBL22584977 1.00 HDAC3 (0.68) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL16887473 0.84 PSEN1 (0.59) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL16061441 0.82 HDAC3 (0.68) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL15647172 0.79 MEN1 (0.82) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL1736045 0.79 MEN1 (0.46) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL1484389 0.78 HDAC3 (0.60) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL16879501 0.78 BRAF (0.55) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL17673062 0.78 MAPT (0.65) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL7930779 0.78 HDAC1 (0.48) HDAC3HDAC1MEN1KMT2AHDAC8
SCHEMBL22953598 0.77 HDAC3 (0.59) HDAC3HDAC1MEN1KMT2AHDAC8

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
CN-111406054-B 1,2, 4-oxadiazole derivatives as inhibitors of histone deacetylase 6 奥莱松基因组股份有限公司 2024-01-02 CN disclosed