SCHEMBL3363606

SCHEMBL3363606

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
FABP4 P15090 2/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 3/20 0.45
MCL1 Q07820 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL3363510 0.90 MEN1 (0.56) HTR6MEN1KMT2AFABP4HDAC1
SCHEMBL28763884 0.87 HTR6 (0.59) HTR6MEN1KMT2AFABP4HDAC1
SCHEMBL3146265 0.82 HTR6 (0.47) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL3133305 0.79 CPT1A (0.54) HTR6MEN1KMT2AFABP4HDAC1
SCHEMBL18161364 0.75 HTR6 (0.49) HTR6MEN1KMT2AFABP4SLC1A3
SCHEMBL27766601 0.75 HTR6 (0.56) HTR6MEN1KMT2AFABP4HDAC1
SCHEMBL27879729 0.75 MEN1 (0.72) HTR6MEN1KMT2AFABP4HDAC1
SCHEMBL3141559 0.74 HDAC6 (0.49) HTR6MEN1KMT2AHDAC1HDAC6
SCHEMBL19475867 0.74 HTR6 (0.48) HTR6MEN1KMT2AFABP4SLC1A3
SCHEMBL3140526 0.74 HTR6 (0.45) HTR6MEN1KMT2AL3MBTL1

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