SCHEMBL8525519

SCHEMBL8525519

O=c1[nH]c(-c2ccccn2)nnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
CBFB Q13951 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.47
TGFBR1 P36897 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPK13 O15264 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
TDO2 P48775 1/20 0.45
SCN2A Q99250 2/20 0.44

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
SCHEMBL8041610 0.86 HTT (0.50) ALDH1A1HTTCBFBHSP90AA1KMT2A
SCHEMBL11133762 0.84 NPC1 (0.49) ALDH1A1HTTCBFBHSP90AA1KMT2A
SCHEMBL8524777 0.82 NPC1 (0.68) ALDH1A1HTTHSP90AA1KMT2ANPSR1
SCHEMBL11136903 0.81 NPC1 (0.49) ALDH1A1HTTCBFBTDP1L3MBTL1
SCHEMBL8525087 0.79 NPC1 (0.64) ALDH1A1HTTHSP90AA1KMT2ANPSR1
SCHEMBL8525305 0.79 NPC1 (0.49) ALDH1A1HTTKMT2ANPSR1TDP1
SCHEMBL11137884 0.78 NPC1 (0.51) ALDH1A1HTTKMT2ANPSR1L3MBTL1
SCHEMBL8525516 0.78 PIM1 (0.49) ALDH1A1HTTCBFBHSP90AA1KMT2A
SCHEMBL8525259 0.78 SMN1; SMN2 (0.48) ALDH1A1HTTHSP90AA1KMT2ANPSR1
SCHEMBL11135466 0.77 NPC1 (0.53) ALDH1A1HTTCBFBHSP90AA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO claimed
EP-0030038-B1 1,2,4-TRIAZINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
US-4343801-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-10 US disclosed
EP-0030038-A1 1,2,4-Triazine derivatives, process for their production and pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-10 EP disclosed