SCHEMBL7545175

SCHEMBL7545175

CC(=O)Nc1ccc(OCc2nc3ccc(F)cc3s2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.60
EPHX2 P34913 7/20 0.60
ALOX5AP P20292 1/20 0.54
DYRK1A Q13627 3/20 0.52
PDPK1 O15530 1/20 0.52
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MAPT P10636 5/20 0.47
HTT P42858 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PTPN1 P18031 1/20 0.45
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 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
SCHEMBL7548069 0.92 ALOX5 (0.62) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7544370 0.91 ALOX5 (0.59) ALOX5EPHX2ALOX5APDYRK1APDPK1
SCHEMBL7544353 0.90 ALOX5 (0.62) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7548803 0.89 ALOX5 (0.55) ALOX5EPHX2ALOX5APDYRK1APDPK1
SCHEMBL7548792 0.89 DYRK1A (0.51) ALOX5EPHX2ALOX5APDYRK1APDPK1
SCHEMBL7543795 0.89 ALOX5 (0.61) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7541784 0.89 ALOX5 (0.58) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7541521 0.88 SMN1; SMN2 (0.50) ALOX5EPHX2DYRK1APDPK1NPC1
SCHEMBL7550234 0.88 ALOX5 (0.57) ALOX5EPHX2ALOX5APDYRK1ANPC1
SCHEMBL7546611 0.87 ALOX5 (0.57) ALOX5EPHX2ALOX5APDYRK1ANPC1

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