SCHEMBL6973163

SCHEMBL6973163

CCc1nc2ccc[c]c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
UBE2T Q9NPD8 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
COMT P21964 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9597126 0.78 NPC1 (0.35) NPC1MAPTKDM4EUBE2TASIC3
SCHEMBL4750497 0.76 SMN1; SMN2 (0.38) NPC1RAB9AGAATLR8TLR7
SCHEMBL5969912 0.73 PI4KA (0.37) NPC1RAB9AGAAMAPTKDM4E
SCHEMBL28668384 0.71 GAA (0.44) NPC1RAB9AGAAMAPK1TLR8
SCHEMBL322456 0.69 UBE2T (0.66) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL30626888 0.69 UBE2T (0.66) NPC1RAB9AGAAMAPK1MAPT
Bromide SCHEMBL3752068 0.68 UBE2T (0.63) NPC1RAB9AGAAMAPK1MAPT
Iodide SCHEMBL9450324 0.68 UBE2T (0.63) NPC1RAB9AGAAMAPK1MAPT
SCHEMBL27779595 0.68 NPC1 (0.33) NPC1RAB9AMAPTL3MBTL1
SCHEMBL14684249 0.66 RAB9A (0.56) NPC1RAB9AGAAMAPK1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed