SCHEMBL22384232

SCHEMBL22384232

CC(C)(C)OC(=O)[C@H](Cc1ccc(-c2ncc(I)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
TDP1 Q9NUW8 6/20 0.42
POLB P06746 3/20 0.42
LY96 Q9Y6Y9 1/20 0.40
NPSR1 Q6W5P4 5/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
PAX8 Q06710 1/20 0.39
HCRTR1 O43613 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL15037038 0.92 MAPT (0.43) MAPTTDP1POLBLY96NPSR1
SCHEMBL17825520 0.92 MAPT (0.43) MAPTTDP1POLBLY96NPSR1
SCHEMBL17825497 0.92 MAPT (0.43) MAPTTDP1POLBLY96NPSR1
SCHEMBL22384066 0.89 LY96 (0.46) MAPTTDP1POLBLY96NPSR1
SCHEMBL15037031 0.89 LY96 (0.46) MAPTTDP1POLBLY96NPSR1
SCHEMBL15096428 0.84 ITGB1 (0.41) MAPTTDP1POLB
SCHEMBL19533184 0.84 LY96 (0.48) MAPTTDP1POLBLY96
SCHEMBL22384075 0.84 MAPT (0.37) MAPTTDP1POLBLY96NPSR1
SCHEMBL17834723 0.84 LY96 (0.40) MAPTTDP1POLBLY96NPSR1
SCHEMBL22384234 0.84 LY96 (0.40) MAPTTDP1POLBLY96NPSR1

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed