SCHEMBL7889504

SCHEMBL7889504

Cn1nc(-c2ccc(Br)cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 3/20 0.34
NMT1 P30419 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
SCN9A Q15858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
FPR2 P25090 1/20 0.30
PROKR1 Q8TCW9 1/20 0.30
DGAT1 O75907 2/20 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
SCHEMBL6295365 0.87 HSD11B1 (0.36) SLC34A1SCN9AHTTFPR2PROKR1
SCHEMBL7746904 0.87 SLC34A1 (0.43) SLC34A1SCN9A
SCHEMBL9081380 0.86 SLC34A1 (0.36) SLC34A1SCN9A
SCHEMBL9083401 0.85 SLC34A1 (0.33) SLC34A1SCN9A
SCHEMBL8474283 0.85 ESR1 (0.37) SLC34A1
SCHEMBL8471677 0.84 AMY1A (0.38) SLC34A1HTT
SCHEMBL8298666 0.82 PRKDC (0.37) SLC34A1
SCHEMBL9081642 0.82 DRD1 (0.35) SLC34A1SCN9AGAA
SCHEMBL9081868 0.81 HTT (0.35) SLC34A1GAAHTT
SCHEMBL7893363 0.81 PDE2A (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed
US-5935907-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1999-08-10 US disclosed
EP-0869123-A2 Phenylacetylene derivatives NIHON BAYER AGROCHEM K.K. (JP) 1998-10-07 EP disclosed