SCHEMBL4947760

SCHEMBL4947760

[c]1nc(OCc2cncc(N3CCOCC3)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
GHSR Q92847 2/20 0.38
HCAR1 Q9BXC0 2/20 0.38
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
MGLL Q99685 1/20 0.36
ILK Q13418 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4949763 0.84 MAPK8 (0.41) APPNPC1RAB9ASMN1; SMN2MAPK8
SCHEMBL4948593 0.82 MAPK8 (0.55) NPC1RAB9ASMN1; SMN2MAPK8MAPK9
SCHEMBL5596467 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPK9MAPK10
SCHEMBL3745112 0.74 MAPK10 (0.71) NPC1RAB9ASMN1; SMN2MAPK8MAPK9
SCHEMBL5597097 0.72 PTGS1 (0.40) APPNPC1RAB9ASMN1; SMN2NOS1
SCHEMBL5596344 0.71 RAB9A (0.46) NPC1RAB9ASMN1; SMN2CDK5CDK5R1
SCHEMBL5596393 0.71 KDM4E (0.36) APPNPC1RAB9ASMN1; SMN2MAPK9
SCHEMBL4949279 0.69 MGLL (0.43) NPC1RAB9ASMN1; SMN2MGLLALDH1A1
SCHEMBL8397683 0.69 APP (0.64) APPNPC1RAB9ASMN1; SMN2LRRK2
SCHEMBL7144576 0.68 ILK (0.50) NPC1RAB9ASMN1; SMN2MGLLILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO disclosed