SCHEMBL14224008

SCHEMBL14224008

C/C(=N\NC(=S)Nc1ccc(C=O)cc1)c1nn(C)c(-c2cccc(C(F)(F)F)c2)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.39
MAPT P10636 6/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 3/20 0.35
KIF11 P52732 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
FYN P06241 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12829639 0.90 MAPT (0.47) GAAMAPTMAPK1TDP1KMT2A
SCHEMBL13747809 0.90 BCHE (0.38) GAAMAPTKMT2AMEN1KIF11
SCHEMBL12755611 0.88 GAA (0.41) GAAMAPTMAPK1KMT2ANPSR1
SCHEMBL1483926 0.88 GAA (0.41) GAAMAPTMAPK1KMT2ANPSR1
SCHEMBL1483928 0.88 GAA (0.41) GAAMAPTMAPK1KMT2ANPSR1
SCHEMBL12829968 0.84 MAPT (0.39) GAAMAPTTDP1NPSR1KIF11
SCHEMBL12829339 0.84 GAA (0.38) GAAMAPTTDP1KMT2ANPSR1
SCHEMBL12829641 0.83 MAPT (0.39) GAAMAPTTDP1KMT2ANPSR1
SCHEMBL14224278 0.83 GRM5 (0.37) GAAMAPTKMT2ANPSR1MEN1
SCHEMBL12829592 0.82 KDR (0.34) GAAMAPTMAPK1TDP1KMT2A

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
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed