SCHEMBL7543772

SCHEMBL7543772

CC(=O)Nc1ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
ALOX5 P09917 12/20 0.52
EPHX2 P34913 11/20 0.52
ALOX5AP P20292 2/20 0.49
AKR1B1 P15121 2/20 0.47
AGPAT2 O15120 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL7541581 0.90 ALOX5 (0.57) DYRK1AALOX5EPHX2ALOX5APAKR1B1
SCHEMBL7542888 0.89 DYRK1A (0.53) DYRK1AALOX5EPHX2ALOX5APAKR1B1
SCHEMBL7541360 0.87 ALOX5 (0.57) DYRK1AALOX5EPHX2ALOX5AP
SCHEMBL7551643 0.87 ALOX5 (0.56) ALOX5EPHX2ALOX5AP
SCHEMBL7541264 0.86 ALOX5 (0.58) DYRK1AALOX5EPHX2ALOX5AP
SCHEMBL7550204 0.86 DYRK1A (0.56) DYRK1AALOX5EPHX2ALOX5APCYP1A2
SCHEMBL7548708 0.85 DYRK1A (0.58) DYRK1AALOX5EPHX2AKR1B1AGPAT2
SCHEMBL7550272 0.84 ALOX5 (0.53) ALOX5EPHX2ALOX5AP
SCHEMBL7544335 0.84 ALOX5 (0.71) ALOX5EPHX2ALOX5AP
SCHEMBL7546611 0.82 ALOX5 (0.57) DYRK1AALOX5EPHX2ALOX5AP

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