SCHEMBL9737236

SCHEMBL9737236

COc1ccc2c(c1)cc(C1(C)OC(=O)c3c(OC)cccc31)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACLY P53396 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL9736730 0.85 AVPR1B (0.35) HTR6ALDH1A1PTGS1PTGS2
SCHEMBL6860540 0.74 HTR6 (0.50) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL3967910 0.72 HTR6 (0.50) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL9737717 0.72 HTR6 (0.60) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL3555665 0.71 HTR6 (0.63) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL9737232 0.70 TUBB4A (0.40) MEN1KMT2AALDH1A1HTT
SCHEMBL9736220 0.69 KDM4E (0.44) POLBHDAC6MEN1KMT2AALDH1A1
SCHEMBL6867966 0.69 HTR6 (0.48) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL6860260 0.68 HTR6 (0.59) HTR6POLBL3MBTL1HDAC3HDAC4
SCHEMBL3561484 0.68 ACLY (0.65) HTR6POLBL3MBTL1HDAC3HDAC4

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
US-5079363-A From an alkoxypyridine and an indole derivative, antitumor and antileukemia agents SANOFI (FR) 1992-01-07 US disclosed