SCHEMBL2428792

SCHEMBL2428792

Cc1nc(C(F)(F)F)c(OC(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.38
COMT P21964 1/20 0.37
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL6209005 0.86 MAPT (0.43) MAPTPOLBALDH1A1GAACOMT
SCHEMBL27267502 0.83 MAPT (0.40) MAPTPOLBALDH1A1GAACOMT
SCHEMBL12647580 0.82 MAPT (0.39) MAPTPOLBALDH1A1GAACOMT
SCHEMBL1417177 0.81 ALDH1A1 (0.39) MAPTPOLBALDH1A1KDM4ESMN1; SMN2
SCHEMBL9676927 0.81 MEN1 (0.37) MAPTPOLBALDH1A1NPC1PKM
SCHEMBL2351402 0.78 MAPT (0.32) MAPTNPC1PKM
SCHEMBL486254 0.75 RAB9A (0.39) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL975710 0.74 MAPT (0.60) MAPTPOLBALDH1A1GAACOMT
SCHEMBL5237956 0.73 RAB9A (0.33) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL31567863 0.72 MAPT (0.34) MAPTPOLBALDH1A1GAAKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001892-B1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES AMBIT BIOSCIENCES CORP (US) 2013-04-24 EP claimed
EP-1966161-B1 CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION BAYER CROPSCIENCE AG (DE) 2011-09-28 EP disclosed
EP-1888545-B1 THIAZOLE CARBOXYLIC ACID ANILIDES BASF SE (DE) 2010-08-25 EP disclosed
EP-1966161-A1 CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION Bayer CropScience AG (DE) 2008-09-10 EP disclosed
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO disclosed
EP-1888545-A1 THIAZOLE CARBOXYLIC ACID ANILIDES BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
WO-2007068375-A1 CARBOXAMIDES FOR CONTROLLING UNDESIRED MICRO-ORGANISMS IN PLANT PROTECTION BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed
WO-2006122933-A1 THIAZOLE CARBOXYLIC ACID ANILIDES BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO disclosed