SCHEMBL7541718

SCHEMBL7541718

COc1ccc2nc(COc3ccc(NC(C)=O)c(Cl)c3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
DYRK1A Q13627 1/20 0.56
ALOX5 P09917 8/20 0.55
EPHX2 P34913 8/20 0.55
ALOX5AP P20292 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP2 P42575 1/20 0.49

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
SCHEMBL7550204 0.92 DYRK1A (0.56) SMN1; SMN2HTTNPC1RAB9ACYP1A2
SCHEMBL7545085 0.90 ALOX5 (0.60) SMN1; SMN2NPC1RAB9ADYRK1AALOX5
SCHEMBL7548803 0.89 ALOX5 (0.55) SMN1; SMN2NPC1RAB9ADYRK1AALOX5
SCHEMBL7543795 0.89 ALOX5 (0.61) SMN1; SMN2HTTNPC1RAB9ACYP1A2
SCHEMBL7544900 0.88 NPC1 (0.56) SMN1; SMN2HTTNPC1RAB9ACYP1A2
SCHEMBL7544335 0.88 ALOX5 (0.71) SMN1; SMN2HTTNPC1RAB9AALOX5
SCHEMBL7550272 0.86 ALOX5 (0.53) SMN1; SMN2NPC1RAB9AALOX5EPHX2
SCHEMBL7551643 0.84 ALOX5 (0.56) SMN1; SMN2NPC1RAB9AALOX5EPHX2
SCHEMBL7542768 0.84 MAPT (0.64) SMN1; SMN2HTTNPC1RAB9ACYP1A2
SCHEMBL7541264 0.84 ALOX5 (0.58) SMN1; SMN2NPC1RAB9ADYRK1AALOX5

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