SCHEMBL4793286

SCHEMBL4793286

Cn1cc(C(=O)Nc2ccccc2-c2ccc(F)c(F)c2)c(C(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.48
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
NTRK1 P04629 2/20 0.44
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 2/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4909628 0.92 CHRM3 (0.47) CHRM3MAPTTHRBNTRK1ATM
SCHEMBL167627 0.90 CHRM3 (0.47) CHRM3MAPTNTRK1ATMLMNA
SCHEMBL29353394 0.90 CHRM3 (0.47) CHRM3MAPTNTRK1ATMLMNA
SCHEMBL374079 0.89 ATM (0.43) CHRM3MAPTNTRK1ATMLMNA
SCHEMBL374269 0.89 ATM (0.46) CHRM3MAPTNTRK1ATMLMNA
SCHEMBL29445388 0.88 CHRM3 (0.49) CHRM3MAPTLMNATP53
SCHEMBL675989 0.88 CHRM3 (0.49) CHRM3MAPTLMNATP53
SCHEMBL1144790 0.88 CSNK1D (0.43) CHRM3MAPTTHRBLMNATP53
SCHEMBL29419144 0.88 TDP1 (0.53) CHRM3MAPTTHRBNTRK1ATM
SCHEMBL121957 0.88 TDP1 (0.53) CHRM3MAPTTHRBNTRK1ATM

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-2001299-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-12-17 EP disclosed
WO-2007110173-A2 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-10-04 WO disclosed