SCHEMBL7541330

SCHEMBL7541330

CC(=O)Nc1ccc(OCc2nc3cc(F)ccc3s2)cc1OCC(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
PTGER4 P35408 1/20 0.47
ALOX5 P09917 9/20 0.47
EPHX2 P34913 7/20 0.47
AKR1B1 P15121 1/20 0.43
ALOX5AP P20292 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYSLTR2 Q9NS75 5/20 0.42
CYSLTR1 Q9Y271 5/20 0.42
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL7548242 0.91 DYRK1A (0.49) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7547564 0.90 SMN1; SMN2 (0.50) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7549661 0.89 ALOX5 (0.57) ALOX5EPHX2ALOX5APNPC1RAB9A
SCHEMBL7544993 0.87 DYRK1A (0.47) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7548069 0.85 ALOX5 (0.62) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7542041 0.85 DYRK1A (0.51) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7541360 0.85 ALOX5 (0.57) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7550253 0.83 DYRK1A (0.49) DYRK1APTGER4ALOX5EPHX2ALOX5AP
SCHEMBL7541521 0.82 SMN1; SMN2 (0.50) DYRK1AALOX5EPHX2NPC1RAB9A
SCHEMBL7544620 0.82 MAPT (0.50) PTGER4ALOX5EPHX2ALOX5APNPC1

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 5 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
EP-0839179-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-05-06 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
WO-1997003170-A1 CONCENTRATED, WATER DISPERSIBLE, STABLE, FABRIC SOFTENING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed