SCHEMBL7549526

SCHEMBL7549526

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CEPT1 Q9Y6K0 1/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.41
MAPT P10636 3/20 0.41
GBA1 P04062 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7542460 0.87 SMN1; SMN2 (0.49) AGPAT2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7551743 0.86 AGPAT2 (0.47) AGPAT2SMN1; SMN2CEPT1KMT2AMEN1
SCHEMBL7542952 0.83 SMN1; SMN2 (0.57) AGPAT2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7550243 0.78 MEN1 (0.51) NPC1RAB9AKMT2AMEN1L3MBTL1
SCHEMBL7544939 0.78 MAOB (0.43) AGPAT2SMN1; SMN2CEPT1KMT2AMEN1
SCHEMBL7542964 0.78 MAPT (0.56) AGPAT2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7543368 0.78 AGPAT2 (0.57) AGPAT2SMN1; SMN2NPC1RAB9ACEPT1
SCHEMBL7545447 0.77 MAPT (0.45) AGPAT2SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7550212 0.76 RAB9A (0.51) AGPAT2SMN1; SMN2NPC1RAB9ACEPT1
SCHEMBL7544414 0.76 MAPT (0.58) AGPAT2SMN1; SMN2NPC1RAB9AKMT2A

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