SCHEMBL6017572

SCHEMBL6017572

COc1ccc(CCOc2nccc(C(C#N)C3C=CN=C(OCc4cccnc4)[N+]3(c3nc4ccccc4s3)c3nc4ccccc4s3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 5/20 0.40
MAPK10 P53779 5/20 0.40
MAPK8 P45983 2/20 0.36
RAB9A P51151 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CSF1R P07333 1/20 0.33
NR1D1 P20393 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAPT P10636 3/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL4020855 0.70 MAPK10 (0.76) MAPK9MAPK10MAPK8RAB9AMAPT
SCHEMBL3742492 0.68 MAPK10 (0.71) MAPK9MAPK10MAPK8RAB9ACYP11B1
SCHEMBL2883226 0.66 MAPK10 (0.83) MAPK9MAPK10MAPK8RAB9ACSF1R
SCHEMBL4026695 0.66 MAPK10 (0.81) MAPK9MAPK10MAPK8RAB9APIK3CA
SCHEMBL7707034 0.64 MAPK10 (0.45) MAPK9MAPK10MAPK8RAB9AMTOR
SCHEMBL7707461 0.63 CYP11B1 (0.36) RAB9ACYP11B1CYP11B2MAPTLMNA
SCHEMBL5566249 0.62 MAPK10 (0.45) MAPK9MAPK10MAPK8RAB9AMKNK1
SCHEMBL6017675 0.61 MAPK10 (0.44) MAPK9MAPK10MAPK8RAB9AMKNK1
SCHEMBL4020757 0.60 MAPK10 (0.76) MAPK9MAPK10MAPK8RAB9APIK3CA
SCHEMBL4203402 0.59 RAB9A (0.43) MAPK9MAPK10RAB9AMAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1696909-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-09-06 EP disclosed
WO-2005025567-A1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO disclosed