SCHEMBL8719700

SCHEMBL8719700

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.39
MAPK1 P28482 1/20 0.38
PDE4B Q07343 2/20 0.37
PPARD Q03181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SCN9A Q15858 2/20 0.36
FPR2 P25090 1/20 0.36
MAPT P10636 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
SCHEMBL7007490 0.86 S1PR1 (0.46) TRPV3MAPK1PDE4BPPARDTRPV1
SCHEMBL7009045 0.83 ABCG2 (0.47) MAPK1PDE4BCYP3A4CYP2D6SCN9A
SCHEMBL7009043 0.73 S1PR1 (0.53) TRPV1SCN9AFPR2
SCHEMBL5214349 0.72 PTGS2 (0.38) PDE4BPPARDCYP3A4CYP2D6PSEN1
SCHEMBL7006071 0.71 S1PR1 (0.48) TRPV1SCN9AFPR2
SCHEMBL7009823 0.71 S1PR1 (0.48) MAPK1TRPV1SCN9AFPR2MAPT
SCHEMBL13273290 0.70 MAPT (0.45) TRPV3PPARDMAPT
SCHEMBL336755 0.69 FFAR4 (0.52) MAPK1TRPV1MAPT
SCHEMBL29387718 0.69 FFAR4 (0.52) MAPK1TRPV1MAPT
SCHEMBL8722892 0.68 MAPK1 (0.43) TRPV3MAPK1TRPV1SCN9AFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP claimed
EP-0823431-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1998-02-11 EP disclosed