SCHEMBL3395570

SCHEMBL3395570

Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
PPARD Q03181 2/20 0.46
GCGR P47871 5/20 0.44
SCN10A Q9Y5Y9 3/20 0.44
DHODH Q02127 1/20 0.44
KDM5A P29375 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
AURKA O14965 1/20 0.43
TPX2 Q9ULW0 1/20 0.43
NPY5R Q15761 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LIPE Q05469 1/20 0.43
F2RL3 Q96RI0 1/20 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
SCHEMBL13425947 0.85 MAPT (0.44) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL3399530 0.77 PTGS2 (0.49) MAPTKDM4EGAAL3MBTL1
SCHEMBL28759381 0.76 PPARG (0.48) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL4682118 0.73 MAPT (0.47) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL3400232 0.73 PHGDH (0.43) MAPTKDM4EGAASCN10AF2RL3
SCHEMBL4683632 0.73 GCGR (0.49) MAPTADORA3GCGRDHODHKDM5A
SCHEMBL2430111 0.73 GCGR (0.47) MAPTMAPK1KDM4EGAAADORA3
SCHEMBL3393979 0.72 PDE4B (0.50) MAPT
SCHEMBL2423765 0.72 FAAH (0.59) MAPTMAPK1KDM4EGAAPPARD
SCHEMBL17290376 0.71 MAPT (0.48) MAPTMAPK1KDM4EGAAADORA3

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed