SCHEMBL1402165

SCHEMBL1402165

Cn1nc(C(F)F)c(C(N)=O)c1-c1ccc(F)cc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.42
EIF4E P06730 6/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
APP P05067 1/20 0.38
CHRM3 P20309 3/20 0.36
PPP1CA P62136 1/20 0.35
CSNK1E P49674 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
KMO O15229 1/20 0.34
GRM5 P41594 1/20 0.33
GRM2 Q14416 1/20 0.33
TGFBR1 P36897 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
SCHEMBL30132996 0.96 RIPK2 (0.42) RIPK2EIF4EPSEN1PSEN2APH1B
SCHEMBL3902497 0.96 RIPK2 (0.42) RIPK2EIF4EPSEN1PSEN2APH1B
SCHEMBL31265245 0.93 RIPK2 (0.38) RIPK2EIF4EPSEN1PSEN2APH1B
SCHEMBL30132994 0.88 CSNK1E (0.38) CHRM3CSNK1EAKR1C3AKR1C2GRM5
SCHEMBL19436813 0.88 CSNK1E (0.38) CHRM3CSNK1EAKR1C3AKR1C2GRM5
SCHEMBL16972201 0.87 GRM2 (0.42) CSNK1EGRM2
SCHEMBL30132999 0.86 RIPK2 (0.44) RIPK2EIF4EPSEN1PSEN2APH1B
SCHEMBL3788878 0.85 CHRM3 (0.36) RIPK2EIF4EPSEN1PSEN2APH1B
SCHEMBL30132990 0.84 RIPK2 (0.44) RIPK2EIF4ECHRM3AKR1C3AKR1C2
SCHEMBL30132981 0.83 CSNK1E (0.38) CHRM3CSNK1EAKR1C3AKR1C2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490981-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS Bayer CropScience Aktiengesellschaft (DE) 2019-06-05 EP disclosed
WO-2018019711-A1 SUBSTITUTED HALOGEN(THIO)ACYL COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-02-01 WO disclosed
EP-2465851-A1 1-Aryl-5-alkyl pyrazole derivative compounds, processes of making and methods of using thereof Aventis Agriculture (FR) 2012-06-20 EP disclosed
EP-2257530-B1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLANILIDES BAYER CROPSCIENCE AG (DE) 2011-10-12 EP disclosed
EP-2292098-A1 Combinations comprising a fungicidal strain and at least one additional fungicide BASF SE (DE) 2011-03-09 EP disclosed
EP-2109366-A2 PESTICIDAL MIXTURES BASF SE (DE) 2009-10-21 EP disclosed
EP-2091326-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND Bayer CropScience SA (FR) 2009-08-26 EP disclosed
EP-2091327-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND Bayer CropScience SA (FR) 2009-08-26 EP disclosed
WO-2008095913-A2 PESTICIDAL MIXTURES BASF SE (DE) 2008-08-14 WO disclosed
WO-2008071674-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND AN INSECTICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed
WO-2008071672-A2 PESTICIDAL COMPOSITION COMPRISING A SYNTHETIC COMPOUND USEFUL AS NODULATION AGENT OF LEGUMINOUS PLANTS AND A FUNGICIDE COMPOUND BAYER CROPSCIENCE SA (FR) 2008-06-19 WO disclosed