SCHEMBL28264249

SCHEMBL28264249

C=Cc1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.53
HDAC1 Q13547 8/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC3 O15379 7/20 0.49
HDAC8 Q9BY41 7/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC10 Q969S8 6/20 0.49
HDAC4 P56524 5/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC9 Q9UKV0 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.46
RAPGEF4 Q8WZA2 2/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29565687 1.00 HTR6 (0.53) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL2138193 0.88 HTR6 (0.54) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL30285445 0.88 HTR6 (0.54) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL1894102 0.84 HTR6 (0.61) HTR6HDAC1HDAC6L3MBTL1POLB
SCHEMBL26604326 0.83 HDAC1 (0.52) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL32691803 0.83 HDAC1 (0.52) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL2136864 0.81 HDAC1 (0.64) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL2136860 0.81 HDAC1 (0.64) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL17924609 0.79 HDAC3 (0.58) HTR6HDAC1HDAC6HDAC3HDAC8
SCHEMBL17924608 0.79 HDAC3 (0.58) HTR6HDAC1HDAC6HDAC3HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232630-B Copper-catalyzed synthesis method of alkenyl boron ester 上海交通大学 2021-01-01 CN claimed
CN-109232630-A A kind of synthetic method of the alkenyl boron ester of copper catalysis 上海交通大学 2019-01-18 CN claimed
CN-109232630-B Copper-catalyzed synthesis method of alkenyl boron ester 上海交通大学 2021-01-01 CN disclosed
CN-109232630-A A kind of synthetic method of the alkenyl boron ester of copper catalysis 上海交通大学 2019-01-18 CN disclosed