SCHEMBL7542460

SCHEMBL7542460

COC(=O)Nc1ccc(OCc2nc3c(C(=O)OC)cccc3o2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TOP2A P11388 2/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
AGPAT2 O15120 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7550243 0.92 MEN1 (0.51) NPC1RAB9ATOP2AKMT2AMEN1
SCHEMBL7549526 0.87 AGPAT2 (0.54) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7545447 0.85 MAPT (0.45) SMN1; SMN2NPC1RAB9ATOP2AKMT2A
SCHEMBL8666294 0.83 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7542952 0.81 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL7543492 0.79 MAPT (0.45) NPC1RAB9ATOP2AKMT2AHPGD
SCHEMBL7545924 0.79 MAPT (0.47) SMN1; SMN2NPC1RAB9AAGPAT2LMNA
SCHEMBL7541707 0.79 MAPT (0.52) SMN1; SMN2NPC1RAB9ALMNATSHR
SCHEMBL7721972 0.76 TOP2A (0.55) SMN1; SMN2NPC1RAB9ATOP2AKMT2A
SCHEMBL4307487 0.75 TOP2A (0.54) SMN1; SMN2NPC1RAB9ATOP2AKMT2A

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