SCHEMBL7004813

SCHEMBL7004813

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SYK P43405 3/20 0.38
TOP1 P11387 2/20 0.38
RAD51 Q06609 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PPARD Q03181 1/20 0.35
BRD4 O60885 1/20 0.35
MAPK14 Q16539 1/20 0.35

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
SCHEMBL7006876 0.87 ADRB3 (0.44) KDM4ENPC1ALDH1A1RAB9APPARD
SCHEMBL7008000 0.83 TRPV1 (0.49) S1PR1S1PR3TRPV1
SCHEMBL8553275 0.83 GRM5 (0.41) S1PR1S1PR3TRPV1TOP1
SCHEMBL7009043 0.82 S1PR1 (0.53) S1PR1S1PR3TRPV1KDM4ENPC1
SCHEMBL7009823 0.81 S1PR1 (0.48) S1PR1S1PR3TRPV1CYP1A2CYP2C9
SCHEMBL3559671 0.81 S1PR1 (0.55) S1PR1S1PR3SYKTOP1RAD51
SCHEMBL8724649 0.81 KDM4E (0.49) TRPV1KDM4EALDH1A1RAB9ACYP1A2
SCHEMBL7866159 0.80 S1PR1 (0.44) S1PR1S1PR3TRPV1TOP1KDM4E
SCHEMBL7006071 0.79 S1PR1 (0.48) S1PR1S1PR3TRPV1CYP1A2CYP2C9
SCHEMBL5252670 0.78 S1PR1 (0.52) S1PR1S1PR3TRPV1SMN1; SMN2

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