SCHEMBL28810374

SCHEMBL28810374

CCOC(=O)c1csc(Cc2cc3cc(C(F)(F)F)ccc3n2S(=O)(=O)CC=Cc2cccc(C(C)(C)C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PPARG P37231 7/20 0.35
▸ PPARA Q07869 6/20 0.35
▸ PPARD Q03181 5/20 0.35
▸ GAA P10253 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ APP P05067 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL27936035 0.91 PTGER1 (0.39) MAPTKDM4EPPARGPPARAPPARD
SCHEMBL28947331 0.88 MAPT (0.36) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL12096587 0.85 PPARG (0.47) MAPTKDM4EPPARGPPARAPPARD
SCHEMBL27936061 0.81 MAPT (0.36) MAPTKDM4EPPARGPPARAGAA
SCHEMBL28809330 0.80 PPARG (0.37) MAPTPPARGPPARAPPARD
SCHEMBL28807362 0.80 PPARG (0.39) MAPTPPARGPPARAPPARD
SCHEMBL27950296 0.79 PPARG (0.37) MAPTPPARGPPARAPPARDMEN1
SCHEMBL28807365 0.79 PTGER1 (0.40) KDM4E
SCHEMBL27936024 0.78 PPARG (0.39) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL27936046 0.78 PPARG (0.37) MAPTPPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 — — CN claimed
CN-103554006-A Use of indole derivatives as nurr-1 activators for the application thereof as a medicament for the treatment of parkinson's disease FOURNIER LAB SA 2014-02-05 — — CN disclosed
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