SCHEMBL14100010

SCHEMBL14100010

Cc1ccc(CO/N=C(/c2cc(C)ccc2N)C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.37
MAPT P10636 5/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
S1PR1 P21453 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL14099956 0.85 ALDH1A1 (0.35) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL14099925 0.83 CCR5 (0.41) AGXTMAPTL3MBTL1NPC1RAB9A
SCHEMBL14099896 0.82 MAPT (0.46) AGXTMAPTGAAL3MBTL1POLB
SCHEMBL22326643 0.73 AGXT (0.44) AGXTMAPTGAAL3MBTL1POLB
SCHEMBL14099953 0.71 S1PR1 (0.39) AGXTMAPTL3MBTL1POLBS1PR1
SCHEMBL14099950 0.70 NPC1 (0.49) MAPTL3MBTL1POLBNPC1RAB9A
SCHEMBL14100095 0.69 L3MBTL1 (0.46) AGXTMAPTGAAL3MBTL1POLB
SCHEMBL2755830 0.67 L3MBTL1 (0.50) AGXTMAPTGAAL3MBTL1POLB
SCHEMBL14099947 0.67 MAPT (0.33) MAPTGAAL3MBTL1POLBS1PR1
SCHEMBL14099979 0.66 MAPT (0.35) MAPTGAANPC1RAB9AMAPK1

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
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed