SCHEMBL14099896

SCHEMBL14099896

C/C(=N\OCc1ccc(C)cc1)c1cc(C)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
S1PR1 P21453 1/20 0.41
AGXT P21549 2/20 0.40
CA12 O43570 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
ALOX15 P16050 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14100010 0.82 AGXT (0.37) MAPTL3MBTL1GAAPOLBS1PR1
SCHEMBL14099947 0.81 MAPT (0.33) MAPTL3MBTL1GAAPOLBS1PR1
SCHEMBL14100095 0.81 L3MBTL1 (0.46) MAPTL3MBTL1GAAPOLBS1PR1
SCHEMBL14100045 0.80 IDO1 (0.46) MAPTL3MBTL1HTT
SCHEMBL14099912 0.79 MAPT (0.36) MAPTL3MBTL1GAANPC1RAB9A
SCHEMBL14099976 0.76 NPC1 (0.49) MAPTL3MBTL1CA12NPC1RAB9A
SCHEMBL14100008 0.76 MAPT (0.37) MAPTNPC1SMN1; SMN2MAPK1HTT
SCHEMBL10101733 0.76 S1PR1 (0.60) MAPTL3MBTL1GAAPOLBS1PR1
SCHEMBL14099908 0.76 CCR2 (0.40) MAPTL3MBTL1POLBSMN1; SMN2TDP1
SCHEMBL14099953 0.74 S1PR1 (0.39) MAPTL3MBTL1POLBS1PR1AGXT

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