SCHEMBL4948593

SCHEMBL4948593

[c]1nc(OCc2ccc(CN3CCOCC3)cc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
MGLL Q99685 1/20 0.42
ILK Q13418 3/20 0.42
DRD4 P21917 2/20 0.41
LTA4H P09960 5/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL4947760 0.82 APP (0.41) MAPK8MAPK9MAPK10MGLLILK
SCHEMBL4949763 0.82 MAPK8 (0.41) MAPK8MAPK9MAPK10MGLLILK
SCHEMBL5596467 0.77 NPC1 (0.48) MAPK9MAPK10ILKGAARAB9A
SCHEMBL7144576 0.74 ILK (0.50) MGLLILKLTA4HUSP2GAA
SCHEMBL4949279 0.74 MGLL (0.43) MGLLLTA4HRAB9ANPC1MEN1
SCHEMBL5596344 0.74 RAB9A (0.46) ILKGAARAB9ANPC1MEN1
SCHEMBL5596393 0.73 KDM4E (0.36) MAPK9MAPK10ILKGAARAB9A
SCHEMBL5597097 0.72 PTGS1 (0.40) ILKRAB9ANPC1PTGS1PTGS2
SCHEMBL4948519 0.71 MAPK9 (0.65) MAPK8MAPK9MAPK10LTA4HUSP2
Bentamapimod SCHEMBL2878382 0.71 MAPK10 (1.00) MAPK8MAPK9MAPK10LTA4HUSP2

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 claimed