SCHEMBL4949283

SCHEMBL4949283

CN(C)CCOc1n[c]c(-c2nc3ccccc3s2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.41
ATP4B P51164 4/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
ILK Q13418 5/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 5/20 0.39
HSD17B10 Q99714 2/20 0.39
GFER P55789 1/20 0.39
AHR P35869 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL4949209 0.94 ATP4A (0.45) ATP4AATP4BHTR1AHTR2AHTR7
SCHEMBL5597097 0.80 PTGS1 (0.40) ILKAPPKDM4EPOLBSMN1; SMN2
SCHEMBL4949279 0.80 MGLL (0.43) KDM4EALDH1A1POLBSMN1; SMN2RAB9A
SCHEMBL5596344 0.77 RAB9A (0.46) ILKKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL5596467 0.76 NPC1 (0.48) ILKKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL5596406 0.73 ILK (0.51) ILKAPPKDM4EALDH1A1POLB
SCHEMBL5596393 0.72 KDM4E (0.36) ILKAPPKDM4EALDH1A1SMN1; SMN2
SCHEMBL4948593 0.70 MAPK8 (0.55) ILKALDH1A1SMN1; SMN2RAB9AMAPT
SCHEMBL4946974 0.68 ALDH1A1 (0.40) ATP4AATP4BHTR1AHTR2AHTR7
SCHEMBL1982607 0.68 KDM4E (0.51) ILKAPPKDM4EALDH1A1POLB

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
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed