SCHEMBL15519752

SCHEMBL15519752

CC(C)(C)c1cccc(S(=O)(=O)n2c(C(=O)c3ccc(OC(=O)O)s3)cc3nc(C(F)(F)F)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RORC P51449 5/20 0.37
▸ PPARG P37231 5/20 0.34
▸ PPARD Q03181 4/20 0.34
▸ PPARA Q07869 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GBA1 P04062 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PLK1 P53350 1/20 0.31
▸ NOD1 Q9Y239 1/20 0.31

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
SCHEMBL14054102 0.90 MAPT (0.40) MAPTTP53RORCPPARGPPARD
SCHEMBL15519650 0.84 PPARG (0.38) MAPTTP53RORCPPARGPPARD
SCHEMBL15519838 0.84 TP53 (0.39) MAPTTP53RORCPPARGPPARD
SCHEMBL14053991 0.77 TP53 (0.38) MAPTTP53RORCPPARGPPARD
SCHEMBL14053485 0.77 TP53 (0.40) MAPTTP53RORCPPARGPPARD
SCHEMBL12099652 0.76 PPARG (0.45) MAPTTP53RORCPPARGPPARD
SCHEMBL15519792 0.75 PPARG (0.39) MAPTTP53RORCPPARGPPARD
SCHEMBL14053482 0.74 TP53 (0.42) MAPTTP53RORCPPARGPPARD
SCHEMBL15519846 0.74 TP53 (0.41) MAPTTP53RORCPPARGPPARD
SCHEMBL12096824 0.73 PPARG (0.46) RORCPPARGPPARDPPARAHTR6

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-2521727-B1 NEW BENZOIC PYRROLOPYRIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PARKINSON'S DISEASE INVENTIVA (FR) 2014-03-19 — — EP claimed
Send feedback