SCHEMBL3865441

SCHEMBL3865441

Cn1nc(C(F)F)c(C(N)=O)c1-c1ccc(F)cc1-c1cccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 4/20 0.38
CSNK1E P49674 4/20 0.38
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.35
GRM2 Q14416 1/20 0.35
HSD11B1 P28845 1/20 0.34
PKM P14618 1/20 0.34
P2RX7 Q99572 3/20 0.33
NUDT1 P36639 1/20 0.33
THRB P10828 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
PTPN11 Q06124 2/20 0.33
GPBAR1 Q8TDU6 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
SCHEMBL28483197 0.92 DHODH (0.36) CSNK1DCSNK1EGRM2THRB
SCHEMBL3232405 0.90 CSNK1D (0.41) CSNK1DCSNK1EHSD17B10SCN9APKM
SCHEMBL16972201 0.89 GRM2 (0.42) CSNK1DCSNK1EGRM2HSD11B1P2RX7
SCHEMBL28939569 0.84 LMNA (0.43) CSNK1DCSNK1EHSD17B10SCN9AGRM2
SCHEMBL28963622 0.84 CSNK1D (0.39) CSNK1DCSNK1EHSD17B10SCN9APTPN11
SCHEMBL1402165 0.83 RIPK2 (0.42) CSNK1EGRM2
SCHEMBL1763226 0.82 CSNK1E (0.41) CSNK1DCSNK1ESCN9A
SCHEMBL3329484 0.82 CSNK1D (0.41) CSNK1DCSNK1EGRM2
SCHEMBL1762849 0.82 HSD17B10 (0.44) CSNK1DCSNK1EHSD17B10SCN9AGRM2
SCHEMBL29198567 0.82 DHODH (0.39) CSNK1DCSNK1EGRM2

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
EP-2099748-A1 INSECTICIDAL BENZAMIDINES Bayer CropScience Aktiengesellschaft (DE) 2009-09-16 EP disclosed
WO-2007131680-A1 INSECTICIDAL BENZAMIDINES BAYER CROPSCIENCE AG (DE) 2007-11-22 WO disclosed