SCHEMBL13017403

SCHEMBL13017403

Cc1cc(-c2ccc(F)c(C(F)(F)F)c2)cnc1/N=C/N(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.42
GRIN1 Q05586 10/20 0.39
MPL P40238 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMO O15229 1/20 0.34

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
SCHEMBL3457635 1.00 GRIN2B (0.42) GRIN2BGRIN1MPLKDM4EALDH1A1
SCHEMBL313340 0.83 ALDH1A1 (0.45) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL313339 0.83 ALDH1A1 (0.45) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL312358 0.78 MAPT (0.51) KDM4EALDH1A1
SCHEMBL312357 0.78 MAPT (0.51) KDM4EALDH1A1
SCHEMBL311806 0.78 ALDH1A1 (0.45) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL311805 0.78 ALDH1A1 (0.45) GRIN2BGRIN1KDM4EALDH1A1
SCHEMBL25587648 0.77 GRIN2B (0.47) GRIN2BGRIN1MPLALDH1A1KMO
SCHEMBL21613535 0.73 GRIN2B (0.41) GRIN2BGRIN1MPLKMO
SCHEMBL21613454 0.71 GRIN2B (0.42) GRIN2BGRIN1MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed