SCHEMBL6463014

SCHEMBL6463014

COc1cccc(CN2C(=O)C(c3ccc(Cl)cc3)=C(C(F)(F)F)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
CHRM5 P08912 2/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 1/20 0.46
LMNA P02545 4/20 0.43
USP2 O75604 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL6427820 0.86 KMT2A (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2KDM4E
SCHEMBL6426743 0.85 CMA1 (0.57) CMA1CHRM5ALDH1A1MAPK1MAPT
SCHEMBL6428548 0.84 NR1H2 (0.56) CMA1ALDH1A1MAPK1MAPTMEN1
SCHEMBL6427122 0.82 NR1H2 (0.47) CHRM5ALDH1A1MAPTMEN1KMT2A
SCHEMBL6426703 0.79 NR1H2 (0.41) CHRM5ALDH1A1MAPTNR1H2NR1H3
SCHEMBL6426786 0.78 MAPT (0.46) CHRM5ALDH1A1MAPK1MAPTHPGD
SCHEMBL6430888 0.74 PKM (0.52) CMA1CHRM5ALDH1A1MAPK1MAPT
SCHEMBL6427708 0.73 NR1H2 (0.50) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL6429024 0.71 PTGS2 (0.46) NR1H2NR1H3
SCHEMBL6429547 0.71 CMA1 (0.54) CMA1CHRM5ALDH1A1MAPTKDM4E

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-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed