SCHEMBL4948638

SCHEMBL4948638

N#CCc1nc(OCc2ccc(CNCc3ccccc3)cc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
MGLL Q99685 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
S1PR2 O95136 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL5033422 0.86 MAPK9 (0.47) MAPK9MAPK10NPC1RAB9AKDM4E
SCHEMBL5033477 0.81 MAPK9 (0.45) MAPK9MAPK10NPC1RAB9AKDM4E
SCHEMBL5042890 0.81 MAPK9 (0.46) MAPK9MAPK10MGLLNPC1RAB9A
SCHEMBL5596710 0.80 ALDH1A1 (0.47) MAPK9MAPK10NPC1RAB9AKDM4E
SCHEMBL3747871 0.79 MAPK9 (0.42) MAPK9MAPK10NPC1RAB9AKDM4E
SCHEMBL4949235 0.78 RAB9A (0.44) MAPK9MAPK10MGLLNPC1RAB9A
SCHEMBL4949154 0.77 MKNK1 (0.47) MAPK9MAPK10NPC1RAB9AKDM4E
SCHEMBL4952153 0.77 MAPK8 (0.49) MAPK9MAPK10MGLLRAB9AKDM4E
SCHEMBL4950482 0.77 FNTA (0.42) MAPK9MAPK10MGLLNPC1RAB9A
SCHEMBL5596354 0.75 SMN1; SMN2 (0.50) MAPK9MAPK10NPC1RAB9AKDM4E

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