SCHEMBL18806858

SCHEMBL18806858

c1ccc2nc(-c3cc(-c4cnc5ccccc5n4)cc(-c4cnc5ccccc5n4)c3)cnc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.66
RAB9A P51151 10/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
BCHE P06276 1/20 0.66
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
TLR9 Q9NR96 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
MAPK10 P53779 2/20 0.53
PDGFRB P09619 1/20 0.53
KDR P35968 1/20 0.53
FLT3 P36888 1/20 0.53
GAA P10253 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA3 P0DMS8 1/20 0.52
ADORA2A P29274 1/20 0.52

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
SCHEMBL4954320 0.88 NPC1 (0.81) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL87505 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29371290 0.86 NPC1 (0.71) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL15111910 0.86 NPC1 (0.70) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL18883005 0.86 NPC1 (0.65) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL2482887 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29966674 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29614829 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL29942654 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEMAPT
SCHEMBL3076524 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2BCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed