SCHEMBL7548568

SCHEMBL7548568

COc1ccc2sc(COc3ccc(NC(C)=O)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
DYRK1A Q13627 4/20 0.61
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALOX5 P09917 7/20 0.57
EPHX2 P34913 7/20 0.57
CLK1 P49759 1/20 0.56
CLK2 P49760 1/20 0.56
DYRK2 Q92630 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
DYRK1B Q9Y463 1/20 0.56
KDM4E B2RXH2 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL7542768 0.91 MAPT (0.64) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7543452 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7548790 0.88 ALOX5 (0.59) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7541432 0.88 EPHX2 (0.65) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7548708 0.85 DYRK1A (0.58) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7544391 0.85 ALOX5 (0.61) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7544458 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7541248 0.84 MAPT (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7543706 0.84 DYRK1A (0.56) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7550204 0.84 DYRK1A (0.56) NPC1RAB9ASMN1; SMN2DYRK1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795550-B1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO CO (JP) 2002-06-05 EP disclosed
US-5736487-A HERBICIDES SANKYO COMPANY, LIMITED (JP) 1998-04-07 US disclosed
EP-0795550-A1 Aniline derivatives having herbicidal activity their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-09-17 EP disclosed