SCHEMBL4949154

SCHEMBL4949154

N#CCc1nc(OCCc2cccnc2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ILK Q13418 2/20 0.41
CYP3A4 P08684 7/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
S1PR2 O95136 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 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
SCHEMBL17709604 0.82 MAPK10 (0.56) MKNK1MKNK2NPC1RAB9AMAPK8
SCHEMBL5596710 0.80 ALDH1A1 (0.47) NPC1RAB9AMAPK9MAPK10ILK
SCHEMBL4948638 0.77 MAPK9 (0.43) NPC1RAB9AMAPK9MAPK10CYP3A4
SCHEMBL4946974 0.77 ALDH1A1 (0.40) NPC1RAB9AILKKDM4EALDH1A1
SCHEMBL4950093 0.76 LTA4H (0.50) MKNK1RAB9AMAPK8MAPK9MAPK10
SCHEMBL5596354 0.75 SMN1; SMN2 (0.50) NPC1RAB9AMAPK9MAPK10KDM4E
SCHEMBL5033422 0.75 MAPK9 (0.47) NPC1RAB9AMAPK8MAPK9MAPK10
SCHEMBL4950482 0.75 FNTA (0.42) NPC1RAB9AMAPK9MAPK10CYP3A4
SCHEMBL4949235 0.73 RAB9A (0.44) NPC1RAB9AMAPK8MAPK9MAPK10
SCHEMBL3742492 0.72 MAPK10 (0.71) MKNK1MKNK2NPC1RAB9AMAPK8

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