SCHEMBL5213499

SCHEMBL5213499

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1CSc1ccc(S(=O)(=O)N2CCC[C@H]2OC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
TP53 P04637 4/20 0.42
PPARG P37231 4/20 0.42
PPARA Q07869 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
PPARD Q03181 1/20 0.36
BRD4 O60885 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNQ1 P51787 1/20 0.35
BRD2 P25440 1/20 0.34

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
SCHEMBL5206559 0.93 MAPT (0.46) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2520056 0.90 MAPT (0.45) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2520058 0.90 MAPT (0.45) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL5210830 0.88 MAPT (0.43) MAPTTP53
SCHEMBL5207399 0.88 PPARA (0.42) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL5210445 0.87 PPARA (0.48) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL5211183 0.86 ALDH1A1 (0.38) MAPTTP53ALDH1A1MEN1KMT2A
SCHEMBL2523123 0.83 MAPT (0.49) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2523125 0.83 MAPT (0.49) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL5299157 0.83 MAPT (0.44) MAPTTP53PPARGPPARAALDH1A1

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-1448523-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE NOVARTIS AG (CH) 2007-08-22 EP claimed