SCHEMBL7547564

SCHEMBL7547564

COc1cc(OCc2nc3cc(F)ccc3s2)ccc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
DYRK1A Q13627 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PTGER4 P35408 1/20 0.49
ALOX5 P09917 9/20 0.48
EPHX2 P34913 6/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYSLTR2 Q9NS75 3/20 0.45
CYSLTR1 Q9Y271 3/20 0.45
KMT2A Q03164 1/20 0.45
ALOX5AP P20292 1/20 0.45

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
SCHEMBL7541521 0.92 SMN1; SMN2 (0.50) SMN1; SMN2DYRK1AALDH1A1MAPTALOX5
SCHEMBL7544620 0.92 MAPT (0.50) SMN1; SMN2ALDH1A1MAPTPTGER4ALOX5
SCHEMBL7548242 0.91 DYRK1A (0.49) SMN1; SMN2DYRK1AALDH1A1MAPTPTGER4
SCHEMBL7544993 0.90 DYRK1A (0.47) SMN1; SMN2DYRK1AALDH1A1MAPTPTGER4
SCHEMBL7541330 0.90 DYRK1A (0.47) SMN1; SMN2DYRK1APTGER4ALOX5EPHX2
SCHEMBL7542976 0.89 ALOX5 (0.48) SMN1; SMN2ALDH1A1MAPTPTGER4ALOX5
SCHEMBL7548069 0.88 ALOX5 (0.62) SMN1; SMN2DYRK1AALDH1A1MAPTPTGER4
SCHEMBL7542041 0.87 DYRK1A (0.51) SMN1; SMN2DYRK1AALDH1A1MAPTPTGER4
SCHEMBL7541360 0.87 ALOX5 (0.57) SMN1; SMN2DYRK1APTGER4ALOX5EPHX2
SCHEMBL7548440 0.87 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MAPTALOX5EPHX2

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