SCHEMBL27358409

SCHEMBL27358409

C/C=C/C#Cc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
THRB P10828 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
HDAC1 Q13547 4/20 0.60
HTR6 P50406 6/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
IL1RN P18510 1/20 0.49
KEAP1 Q14145 1/20 0.49

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
SCHEMBL27358419 1.00 HDAC8 (0.69) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL5020581 0.86 HDAC8 (0.82) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL13477817 0.83 HDAC8 (0.81) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL29487516 0.82 HDAC8 (1.00) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1232657 0.82 HDAC8 (1.00) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL30702322 0.82 HDAC8 (1.00) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1232655 0.82 HDAC8 (1.00) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL5020580 0.81 HDAC8 (0.70) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL8251666 0.81 HDAC8 (0.70) HDAC8MEN1KMT2ATHRBTDP1
SCHEMBL1403010 0.78 HDAC8 (0.71) HDAC8MEN1KMT2ATHRBTDP1

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-2023242278-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KIDNEY DISEASES UNIVERSITÄTSMEDIZIN GREIFSWALD (DE) 2023-12-21 WO disclosed