SCHEMBL3265513

SCHEMBL3265513

N#Cc1ccc2c(c1)cc(Cc1ccccc1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.46
PPARA Q07869 6/20 0.46
PPARD Q03181 4/20 0.46
ACLY P53396 6/20 0.44
HTR6 P50406 1/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 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
SCHEMBL3259850 0.90 PPARG (0.43) PPARGPPARAPPARDACLYHTR6
SCHEMBL3520754 0.82 PPARG (0.70) PPARGPPARAPPARDACLY
SCHEMBL3705304 0.81 ACLY (0.47) PPARGPPARAPPARDACLYHTR6
SCHEMBL15747081 0.80 ACLY (0.47) PPARGPPARAPPARDACLYHTR6
SCHEMBL12804253 0.79 ACLY (0.44) PPARGPPARAPPARDACLYHTR6
SCHEMBL3530155 0.78 PPARG (0.55) PPARGPPARAPPARDACLYHTR6
SCHEMBL18440703 0.77 PPARG (0.42) PPARGPPARAPPARDACLYHTR6
SCHEMBL14653927 0.75 ACLY (0.46) PPARGPPARAPPARDACLYHTR6
SCHEMBL6867245 0.74 CA12 (0.54) PPARGPPARAPPARDHTR6MAPT
SCHEMBL28890855 0.73 NOD1 (0.55) PPARGPPARAPPARDMEN1USP2

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
WO-2010011147-A1 INDOLE COMPOUNDS THIA MEDICA AS (NO) 2010-01-28 WO disclosed