SCHEMBL175687

SCHEMBL175687

CCOP(=O)(CC)CC#N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ACHE P22303 1/20 0.42
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL16659326 0.83 ACHE (0.39) TSHRACHETP53TDP1PPARD
SCHEMBL12056665 0.81 ACHE (0.38) TSHRACHETP53TDP1PPARD
SCHEMBL8232545 0.79 ACHE (0.37) TSHRACHETP53TDP1MEN1
SCHEMBL11865911 0.79
SCHEMBL564170 0.77
SCHEMBL95691 0.76 TSHR (0.59) TSHRACHETP53TDP1PPARD
SCHEMBL28219600 0.76 TSHR (0.46) TSHRACHETP53TDP1PPARD
SCHEMBL28639056 0.75 TSHR (0.55) TSHRACHETP53TDP1PPARD
SCHEMBL28829611 0.75 TSHR (0.55) TSHRACHETP53TDP1PPARD
SCHEMBL413328 0.74 TSHR (0.56) TSHRACHETP53TDP1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188253-B1 Indol-2-one derivatives disubstituted in 3-position, preparation thereof and therapeutic use thereof SANOFI SA (FR) 2012-03-07 EP disclosed
EP-2188253-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-26 EP disclosed
WO-2009056707-A2 INDOL-2-ONE DERIVATIVES DISUBSTITUTED IN THE 3-POSITION, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-05-07 WO disclosed