SCHEMBL1903013

SCHEMBL1903013

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 5/20 0.37
FPR1 P21462 4/20 0.37
RXRA P19793 6/20 0.37
GRIN1 Q05586 6/20 0.37
GRIN2B Q13224 6/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
NOTUM Q6P988 1/20 0.35
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM4 Q14833 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
SCHEMBL1903762 0.91 HCRTR1 (0.38) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1904326 0.90 FPR2 (0.36) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1903822 0.78 GAA (0.36) NOTUM
SCHEMBL1906802 0.77 VCP (0.34) RXRAGRIN1GRIN2BNOTUM
SCHEMBL1071650 0.74 CYP1A2 (0.35) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1904184 0.74 FPR1 (0.35) FPR2FPR1RXRAGRIN1GRIN2B
SCHEMBL1904251 0.71 TP53 (0.38) MEN1KMT2A
SCHEMBL1906725 0.71 CACNA2D1 (0.41) TSHR
SCHEMBL1110836 0.71 CACNA2D1 (0.41)
SCHEMBL1908033 0.71 TDP2 (0.41) FPR2FPR1MEN1TSHRKMT2A

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