SCHEMBL7542976

SCHEMBL7542976

CCOC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.48
EPHX2 P34913 6/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTGER4 P35408 1/20 0.46
MAPK1 P28482 1/20 0.45
ALOX5AP P20292 1/20 0.44
CYSLTR1 Q9Y271 4/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7544620 0.93 MAPT (0.50) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7547564 0.89 SMN1; SMN2 (0.50) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7548242 0.84 DYRK1A (0.49) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7541777 0.84 ALOX5 (0.61) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7541521 0.81 SMN1; SMN2 (0.50) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7541434 0.80 MAPT (0.66) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7548069 0.79 ALOX5 (0.62) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7544993 0.79 DYRK1A (0.47) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2
SCHEMBL7541330 0.79 DYRK1A (0.47) ALOX5EPHX2SMN1; SMN2PTGER4ALOX5AP
SCHEMBL7542041 0.78 DYRK1A (0.51) ALOX5EPHX2MAPTALDH1A1SMN1; SMN2

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