SCHEMBL4668294

SCHEMBL4668294

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2CCC(C)(C)C)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 5/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
WDR5 P61964 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 1/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL2199397 0.81 MEN1 (0.48) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL2196885 0.80 LIPE (0.46) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL3105863 0.79 GAA (0.44) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL2200148 0.77 MAPT (0.49) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL13304546 0.77 GAA (0.42) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL7458241 0.75 MAPT (0.49) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL14564515 0.74 MAPT (0.46) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL2202643 0.74 CHRM3 (0.44) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL2199612 0.73 CHRM3 (0.44) GAAKDM4EMAPTHTTSMN1; SMN2
SCHEMBL12424051 0.73 WDR5 (0.41) GAAKDM4EMAPTHTTSMN1; SMN2

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-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP claimed
EP-2000029-A1 Insecticide and fungicide active agent combinations Bayer CropScience AG (DE) 2008-12-10 EP disclosed