SCHEMBL5812002

SCHEMBL5812002

CC(C)(C)c1ccc(N2c3ccccc3Sc3cccc(O)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
NOX1 Q9Y5S8 1/20 0.39
BCHE P06276 8/20 0.37
MAOA P21397 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HSD11B1 P28845 1/20 0.35
HSD17B3 P37058 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
UQCRB P14927 1/20 0.35
HSD17B2 P37059 1/20 0.35
P4HB P07237 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL5795307 0.84 HDAC6 (0.54) HDAC6NOX1BCHEMAOAMEN1
SCHEMBL5811974 0.84 HDAC6 (0.42) HDAC6NOX1BCHEMAOACYP3A4
SCHEMBL5796838 0.77 HDAC6 (0.48) HDAC6NOX1BCHEMAOAMEN1
SCHEMBL5798501 0.75 HDAC6 (0.46) HDAC6NOX1BCHEMAOAMEN1
SCHEMBL17278630 0.74 HDAC6 (0.48) HDAC6BCHEMAOAMEN1KMT2A
SCHEMBL13889525 0.74 HDAC6 (0.45) HDAC6NOX1BCHEMAOAMEN1
SCHEMBL5795297 0.73 HDAC6 (0.47) HDAC6NOX1BCHEMAOAMEN1
SCHEMBL19888136 0.72 NOX1 (0.59) HDAC6NOX1BCHEHDAC4HDAC2
SCHEMBL5806621 0.72 MEN1 (0.33) HDAC6NOX1MEN1KMT2A
SCHEMBL19862774 0.71 HDAC6 (0.44) HDAC6NOX1BCHEMAOAMEN1

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-2006041263-A1 CHROMOPHORE COMPOUNDS AND ORGANIC ELECTROLUMINESCENC DISPLAY DEVICE COMPRISING THE SAME DOOSAN CORPORATION (KR) 2006-04-20 WO disclosed