SCHEMBL7007490

SCHEMBL7007490

CCc1cc(Oc2ccnc(Cl)c2)nc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
PDE4B Q07343 2/20 0.41
TRPV3 Q8NET8 8/20 0.39
MAPK1 P28482 1/20 0.39
ESR1 P03372 2/20 0.38
PPARD Q03181 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
SCN9A Q15858 2/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL7009043 0.89 S1PR1 (0.53) S1PR1S1PR3ESR1TRPV1SCN9A
SCHEMBL8719700 0.86 TRPV3 (0.39) PDE4BTRPV3MAPK1PPARDTRPV1
SCHEMBL7009823 0.85 S1PR1 (0.48) S1PR1S1PR3MAPK1ESR1TRPV1
SCHEMBL7006071 0.85 S1PR1 (0.48) S1PR1S1PR3ESR1TRPV1SCN9A
SCHEMBL5252670 0.83 S1PR1 (0.52) S1PR1S1PR3TRPV3TRPV1SCN9A
SCHEMBL7009045 0.82 ABCG2 (0.47) PDE4BMAPK1SCN9AFPR2
SCHEMBL7004813 0.76 S1PR1 (0.43) S1PR1S1PR3PPARDTRPV1
SCHEMBL7007712 0.76 S1PR1 (0.47) S1PR1S1PR3TRPV3PPARDTRPV1
SCHEMBL7008000 0.74 TRPV1 (0.49) S1PR1S1PR3TRPV1SCN9A
SCHEMBL7011308 0.73 S1PR1 (0.47) S1PR1S1PR3TRPV3

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-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP 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-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed