SCHEMBL1904326

SCHEMBL1904326

CCOc1cc(F)c(-c2c(Cl)nc(Br)n2-c2cccc(OC(F)F)c2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.36
FPR1 P21462 4/20 0.36
RXRA P19793 6/20 0.36
GRIN1 Q05586 6/20 0.36
GRIN2B Q13224 6/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
PTGER1 P34995 1/20 0.35
NOTUM Q6P988 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1903013 0.90 FPR2 (0.37) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1903762 0.89 HCRTR1 (0.38) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1906802 0.88 VCP (0.34) RXRAGRIN1GRIN2BPTGER1NOTUM
SCHEMBL1075615 0.80 MEN1 (0.37) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1903822 0.76 GAA (0.36) NOTUM
SCHEMBL1075931 0.76 MALT1 (0.36) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1074038 0.71 KDM4E (0.34) NOTUM
SCHEMBL1110836 0.70 CACNA2D1 (0.41)
SCHEMBL1906725 0.70 CACNA2D1 (0.41) TSHR
SCHEMBL1904251 0.70 TP53 (0.38) MEN1KMT2A

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-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO claimed
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed