SCHEMBL7543706

SCHEMBL7543706

CCc1cc(OCc2nc3cc(OC)ccc3s2)ccc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
ALOX5 P09917 7/20 0.48
EPHX2 P34913 7/20 0.48
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL7544900 0.92 NPC1 (0.56) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7542633 0.90 ALOX5 (0.50) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7548540 0.89 EPHX2 (0.53) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7542041 0.89 DYRK1A (0.51) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7544391 0.89 ALOX5 (0.61) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7550204 0.88 DYRK1A (0.56) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7542457 0.88 ALOX5 (0.62) SMN1; SMN2NPC1RAB9AALOX5EPHX2
SCHEMBL7542888 0.86 DYRK1A (0.53) DYRK1ASMN1; SMN2NPC1RAB9AALOX5
SCHEMBL7541047 0.86 ALOX5 (0.46) SMN1; SMN2NPC1RAB9AALOX5EPHX2
SCHEMBL7548568 0.84 NPC1 (0.61) DYRK1ASMN1; SMN2NPC1RAB9AALOX5

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