SCHEMBL7544900

SCHEMBL7544900

CCc1cc(OCc2nc3ccc(OC)cc3s2)ccc1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 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
MAPT P10636 6/20 0.50
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50
TSHR P16473 2/20 0.48
ALOX5 P09917 2/20 0.48
EPHX2 P34913 2/20 0.48
MAPK1 P28482 3/20 0.48

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
SCHEMBL7543706 0.92 DYRK1A (0.56) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7551595 0.90 ALOX5 (0.51) NPC1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL7548792 0.89 DYRK1A (0.51) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7543795 0.89 ALOX5 (0.61) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7541718 0.88 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7542457 0.88 ALOX5 (0.62) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7541047 0.86 ALOX5 (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7542768 0.84 MAPT (0.64) NPC1RAB9ASMN1; SMN2HTTCYP1A2
SCHEMBL7542633 0.84 ALOX5 (0.50) NPC1RAB9ASMN1; SMN2HTTDYRK1A
SCHEMBL7542041 0.83 DYRK1A (0.51) 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