SCHEMBL7541771

SCHEMBL7541771

Cc1cc(OCc2nc3cc(F)ccc3s2)ccc1N(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.49
EPHX2 P34913 7/20 0.49
PTGER4 P35408 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYSLTR1 Q9Y271 6/20 0.46
CYSLTR2 Q9NS75 5/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX5AP P20292 1/20 0.43

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
SCHEMBL7544365 0.92 ALOX5 (0.47) ALOX5EPHX2PTGER4NPC1RAB9A
SCHEMBL7543617 0.87 NPC1 (0.62) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7543960 0.83 ALOX5 (0.48) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548069 0.79 ALOX5 (0.62) ALOX5EPHX2PTGER4NPC1RAB9A
SCHEMBL7545037 0.78 NPC1 (0.62) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7541777 0.78 ALOX5 (0.61) ALOX5EPHX2PTGER4NPC1RAB9A
SCHEMBL7545587 0.77 NPC1 (0.60) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7548813 0.75 NPC1 (0.64) ALOX5EPHX2NPC1RAB9AMAPT
SCHEMBL7542041 0.74 DYRK1A (0.51) ALOX5EPHX2PTGER4NPC1RAB9A
SCHEMBL9335294 0.74 PTGER4 (0.66) ALOX5PTGER4NPC1RAB9ACYSLTR1

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 1 patent. 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 claimed