SCHEMBL5299157

SCHEMBL5299157

Cc1oc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1CSc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2OC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
TP53 P04637 5/20 0.44
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5207316 0.94 MAPT (0.48) MAPTTP53PPARGPPARA
SCHEMBL5206201 0.90 MAPT (0.42) MAPTTP53ALDH1A1GAATSHR
SCHEMBL2521633 0.89 MAPT (0.45) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2521631 0.89 MAPT (0.45) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL5285784 0.88 MAPT (0.42) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL5206326 0.88 PPARA (0.44) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2522432 0.83 MAPT (0.49) MAPTTP53PPARGPPARA
SCHEMBL2522434 0.83 MAPT (0.49) MAPTTP53PPARGPPARA
SCHEMBL5213499 0.83 MAPT (0.42) MAPTTP53PPARGPPARAALDH1A1
SCHEMBL2917013 0.81 TP53 (0.46) MAPTTP53PPARGPPARA

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