SCHEMBL6533824

SCHEMBL6533824

COc1ccc2sc(C(=S)C(C(=O)OCc3ccc(Cl)c(C(F)(F)F)c3)C(O)c3cccnc3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TP53 P04637 2/20 0.39
CLK1 P49759 1/20 0.37
LMNA P02545 2/20 0.37
PPARA Q07869 3/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
DYRK1A Q13627 2/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL3061679 0.84 PPARA (0.39) MAPTTP53CLK1LMNAPPARA
SCHEMBL3067397 0.77 MAPT (0.37) MAPTTP53LMNAPPARAMEN1
SCHEMBL6311345 0.72 MAPT (0.43) MAPTTP53LMNAPPARAMEN1
SCHEMBL6309522 0.70 MAPT (0.38) MAPTLMNAPPARAMEN1ALDH1A1
SCHEMBL3061593 0.70 ADRB3 (0.36) MAPTLMNAPPARAMEN1ALDH1A1
SCHEMBL3101528 0.69 CNR2 (0.43) MAPTLMNAPPARAMEN1ALDH1A1
SCHEMBL3069248 0.69 CNR2 (0.37) MAPTLMNAMEN1ALDH1A1HTT
SCHEMBL3069012 0.65 FFAR1 (0.47) MAPTMEN1HTTKMT2A
SCHEMBL13817475 0.64 MAPT (0.39) MAPTLMNAPPARAMEN1ALDH1A1
SCHEMBL3097111 0.64 MAPT (0.39) MAPTLMNAPPARAMEN1ALDH1A1

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-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed