SCHEMBL4950093

SCHEMBL4950093

N#CCc1nc(OCCN2CCOCC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
MKNK1 Q9BUB5 2/20 0.49
ILK Q13418 2/20 0.46
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SRC P12931 1/20 0.42
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
MGLL Q99685 1/20 0.40
PIK3CA P42336 1/20 0.39
GHSR Q92847 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 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
SCHEMBL4952153 0.84 MAPK8 (0.49) LTA4HILKALDH1A1SMN1; SMN2MAPK8
SCHEMBL5596770 0.81 SMN1; SMN2 (0.46) ILKUSP2GAAALDH1A1SMN1; SMN2
SCHEMBL5596710 0.78 ALDH1A1 (0.47) ILKGAAALDH1A1SMN1; SMN2MAPK9
SCHEMBL5033422 0.78 MAPK9 (0.47) LTA4HGAAALDH1A1SMN1; SMN2MAPK8
SCHEMBL5042890 0.77 MAPK9 (0.46) LTA4HILKGAAALDH1A1SMN1; SMN2
SCHEMBL4946974 0.76 ALDH1A1 (0.40) ILKGAAALDH1A1SMN1; SMN2POLB
SCHEMBL4949154 0.76 MKNK1 (0.47) MKNK1ILKGAAALDH1A1SMN1; SMN2
SCHEMBL4949235 0.75 RAB9A (0.44) LTA4HGAAALDH1A1SMN1; SMN2MAPK8
SCHEMBL5033477 0.74 MAPK9 (0.45) LTA4HGAAALDH1A1SMN1; SMN2MAPK8
SCHEMBL5596354 0.74 SMN1; SMN2 (0.50) GAAALDH1A1SMN1; SMN2MAPK9MAPK10

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