SCHEMBL7006876

SCHEMBL7006876

Cc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.44
TSPO P30536 1/20 0.44
GRM5 P41594 1/20 0.44
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GPR35 Q9HC97 1/20 0.44
SCN10A Q9Y5Y9 6/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SCN5A Q14524 2/20 0.39
SCN2A Q99250 1/20 0.39
DHODH Q02127 1/20 0.39
ACP1 P24666 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL7004813 0.87 S1PR1 (0.43) KDM4ENPC1ALDH1A1RAB9APPARD
SCHEMBL7006595 0.82 MAPK1 (0.46) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL30816945 0.77 RAF1 (0.47) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL23111687 0.77 RAF1 (0.47) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL7011714 0.74 ADRB3 (0.41) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL7006219 0.74 ADRB3 (0.41) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL6180227 0.73 SCN10A (0.58) SCN10AMAPTKDM4EGAANPC1
SCHEMBL2303394 0.72 ADRB3 (0.43) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL29628495 0.72 ADRB3 (0.43) ADRB3TSPOGRM5KCNH2TMEM97
SCHEMBL1229896 0.72 SCN5A (0.49) ADRB3TSPOGRM5KCNH2TMEM97

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP disclosed
US-6066597-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero)aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 2000-05-23 US disclosed
US-6008161-A Herbicidal 2-(hetero)aryloxy-6-arylpyridines and 2-aryl-4-(hetero) aryloxypyrimidines AMERICAN CYANAMID COMPANY (US) 1999-12-28 US disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
US-5824624-A HERBICIDES WITH CARRIERS OR SURFACTANTS AMERICAN CYANAMID COMPANY (US) 1998-10-20 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed