SCHEMBL28048016

SCHEMBL28048016

Cc1cccc(S(=O)(=O)c2c[nH]c3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTR6 P50406 2/20 0.49
MAPT P10636 1/20 0.48
FEN1 P39748 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 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
SCHEMBL28246139 0.83 MEN1 (0.62) MEN1KMT2AHTR6MAPTLMNA
SCHEMBL2037678 0.82 MET (0.59) MEN1KMT2AHTR6MAPTTP53
SCHEMBL28246137 0.82 FEN1 (0.47) MEN1KMT2AHTR6FEN1
SCHEMBL6816146 0.79 HDAC3 (0.50) MEN1KMT2AHTR6MAPTHDAC3
SCHEMBL27148809 0.79 SLC22A6 (0.50) MEN1KMT2AHTR6MAPTTP53
SCHEMBL25030920 0.78 MEN1 (0.41) MEN1KMT2AMAPTFEN1TSHR
SCHEMBL7832104 0.77 HTR6 (0.47) MEN1KMT2AHTR6MAPTTSHR
SCHEMBL28406584 0.74 POLB (0.53) MEN1KMT2AHTR6MAPTFEN1
SCHEMBL28405115 0.73 MAPT (0.65) MEN1KMT2AMAPTLMNATP53
SCHEMBL1015301 0.73 HTR6 (0.52) MEN1KMT2AHTR6MAPTTP53

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-103450218-B As the indoles three also ring derivatives of CRTH2 receptor antagonist SHANDONG HENRY MEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2015-12-23 CN disclosed