SCHEMBL8225358

SCHEMBL8225358

Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCc4ccccc4OC(F)(F)F)n4nccc4n3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RIPK1 Q13546 6/20 0.38
PPARG P37231 2/20 0.38
TSHR P16473 1/20 0.38
EPHX2 P34913 4/20 0.38
NTRK1 P04629 1/20 0.37
HSD17B13 Q7Z5P4 2/20 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
SCHEMBL10162871 0.95 ALDH1A1 (0.40) KCNN3ALDH1A1MAPTMAPK1ALOX15
SCHEMBL14449909 0.90 LIPG (0.41) ALDH1A1MAPTMAPK1ALOX15L3MBTL1
SCHEMBL10162861 0.89 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1ALOX15L3MBTL1
SCHEMBL8225378 0.89 KCNN3 (0.43) KCNN3ALDH1A1MAPTMAPK1KDM4E
SCHEMBL8228853 0.89 ADAMTS4 (0.40) ALDH1A1MAPTMAPK1ALOX15L3MBTL1
SCHEMBL10162851 0.88 MAPT (0.47) ALDH1A1MAPTMAPK1ALOX15L3MBTL1
SCHEMBL10162873 0.86 TP53 (0.44) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL10162863 0.86 ALDH1A1 (0.38) ALDH1A1MAPTMAPK1ALOX15L3MBTL1
SCHEMBL8226340 0.85 MMP13 (0.37) ALDH1A1MAPTALOX15L3MBTL1KDM4E
SCHEMBL8225958 0.85 TP53 (0.44) MAPTL3MBTL1LMNA

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-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed