SCHEMBL4952153

SCHEMBL4952153

N#CCc1nc(OCc2cccc(CN3CCOCC3)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
MGLL Q99685 1/20 0.38
ILK Q13418 2/20 0.38
GHSR Q92847 1/20 0.37
HCAR1 Q9BXC0 1/20 0.37
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
PRKDC P78527 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 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
SCHEMBL4949235 0.92 RAB9A (0.44) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL5033422 0.87 MAPK9 (0.47) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL4950093 0.84 LTA4H (0.50) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL5042890 0.83 MAPK9 (0.46) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL4950482 0.82 FNTA (0.42) MAPK9MAPK10SMN1; SMN2ALDH1A1MGLL
SCHEMBL5033477 0.81 MAPK9 (0.45) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL3747871 0.79 MAPK9 (0.42) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1
SCHEMBL4948638 0.77 MAPK9 (0.43) MAPK9MAPK10SMN1; SMN2ALDH1A1MGLL
SCHEMBL5596770 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MGLLILKGHSR
SCHEMBL3747858 0.74 MAPK10 (0.86) MAPK8MAPK9MAPK10SMN1; SMN2ALDH1A1

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