SCHEMBL6683889

SCHEMBL6683889

COc1ncc(-c2nn(C)c(OC(F)F)c2Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.38
KMT2A Q03164 1/20 0.34
SCN5A Q14524 2/20 0.34
UGCG Q16739 1/20 0.33
GRM2 Q14416 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL6676477 0.87 UGCG (0.36) SCN9AKMT2ASCN5AUGCGGRM2
SCHEMBL6919426 0.79 SLC34A1 (0.41) GRM2
SCHEMBL7898139 0.78 CRHR1 (0.34)
SCHEMBL6674684 0.77 CHRNB2 (0.35) KMT2A
SCHEMBL6673150 0.77 KMT2A (0.39) SCN9AKMT2AGRM2HCRTR1HCRTR2
SCHEMBL6671534 0.76 F2RL3 (0.33)
SCHEMBL8475975 0.76 F2RL3 (0.38) KMT2A
SCHEMBL7711790 0.75 KCNH2 (0.34)
SCHEMBL6674187 0.73 F2RL3 (0.31)
SCHEMBL7781838 0.73 KCNH2 (0.38) GRM2

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
WO-2004035564-A1 PYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed
WO-2004035563-A1 3-HETEROCYCLYLPYRIDINE DERIVATIVES USEFUL AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2004-04-29 WO disclosed