SCHEMBL3363510

SCHEMBL3363510

CC(C)(C)c1ccc(S(=O)(=O)n2ccc3ccc(OC(=O)O)cc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR6 P50406 9/20 0.54
FABP4 P15090 2/20 0.49
HDAC1 Q13547 4/20 0.46
HDAC6 Q9UBN7 3/20 0.46
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MCL1 Q07820 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL3363606 0.90 HTR6 (0.56) MEN1KMT2AHTR6FABP4HDAC1
SCHEMBL3133305 0.82 CPT1A (0.54) MEN1KMT2AHTR6FABP4HDAC1
SCHEMBL27879729 0.81 MEN1 (0.72) MEN1KMT2AHTR6FABP4HDAC1
SCHEMBL27766601 0.79 HTR6 (0.56) MEN1KMT2AHTR6FABP4HDAC1
SCHEMBL3146265 0.79 HTR6 (0.47) MEN1KMT2AHTR6HDAC1HDAC6
SCHEMBL3363394 0.78 HTR6 (0.52) MEN1KMT2AHTR6FABP4LMNA
SCHEMBL18161364 0.76 HTR6 (0.49) MEN1KMT2AHTR6FABP4L3MBTL1
SCHEMBL28763884 0.76 HTR6 (0.59) MEN1KMT2AHTR6FABP4HDAC1
SCHEMBL3141559 0.75 HDAC6 (0.49) MEN1KMT2AHTR6HDAC1HDAC6
SCHEMBL3140526 0.75 HTR6 (0.45) MEN1KMT2AHTR6L3MBTL1ALDH1A1

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
EP-2118060-B1 1-BENZENESULFONYL-1H-INDOLE DERIVATIVES AS INHIBITORS OF CCR9 ACTIVITY NOVARTIS AG (CH) 2010-10-06 EP claimed