SCHEMBL6918490

SCHEMBL6918490

COc1nc(Cl)ccc1-c1nn(C)c(OC(F)F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6671537 0.86
SCHEMBL6820087 0.84
SCHEMBL6819087 0.81 PDE1A (0.39) MAPTL3MBTL1
SCHEMBL7066608 0.81 CCR4 (0.30)
SCHEMBL6684334 0.80
SCHEMBL8471677 0.77 AMY1A (0.38) MAPT
SCHEMBL6675536 0.76
SCHEMBL6818668 0.75 PDE4B (0.33) CRHR1PDCD1LG2CD274
SCHEMBL7746904 0.74 SLC34A1 (0.43) SCN9A
SCHEMBL6295365 0.74 HSD11B1 (0.36) CRHR1SCN9AMEN1KMT2A

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

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