SCHEMBL8525516

SCHEMBL8525516

O=c1nc(-c2ccccn2)[nH]nc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
TGFBR1 P36897 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CBFB Q13951 2/20 0.46
PDPK1 O15530 1/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
TDO2 P48775 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALPL P05186 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 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
SCHEMBL8041608 0.87 L3MBTL1 (0.48) TGFBR1NPC1RAB9ASMN1; SMN2CBFB
SCHEMBL8524775 0.82 NPC1 (0.63) PIM1TGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL8525086 0.80 RAB9A (0.60) PIM1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8525257 0.79 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MAPK9L3MBTL1
SCHEMBL8525304 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPK13MAPK12
SCHEMBL8525519 0.78 ALDH1A1 (0.47) PIM1TGFBR1NPC1RAB9ASMN1; SMN2
SCHEMBL8524927 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1TDP1
SCHEMBL8525315 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CBFBL3MBTL1
SCHEMBL29979429 0.75 TGFBR1 (0.60) TGFBR1NPC1RAB9ASMN1; SMN2CBFB
SCHEMBL4025464 0.75 TGFBR1 (0.60) TGFBR1NPC1RAB9ASMN1; SMN2CBFB

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-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO claimed