SCHEMBL3846790

SCHEMBL3846790

C[Si](C)(C)CNc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
NLRP3 Q96P20 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
MEN1 O00255 1/20 0.33
KCNH2 Q12809 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL3842935 0.87 PTGS2 (0.39) KMT2AMEN1KCNH2ALDH1A1
SCHEMBL6085223 0.75 ALDH1A1 (0.40) KMT2ANLRP3MEN1KCNH2ALDH1A1
SCHEMBL12627437 0.73 POLB (0.39) KMT2AMEN1ALDH1A1
SCHEMBL19121210 0.71 TRPA1 (0.44) KMT2ANLRP3MEN1ALDH1A1
SCHEMBL12652283 0.70 THRB (0.36) KMT2ANLRP3MEN1ALDH1A1
SCHEMBL9771602 0.70 KMT2A (0.35) KMT2ANLRP3MEN1ALDH1A1
SCHEMBL14831229 0.70 KMT2A (0.42) KMT2A
SCHEMBL28005043 0.70 KCNH3 (0.37) KMT2ANLRP3MEN1ALDH1A1
SCHEMBL28097102 0.68 SMN1; SMN2 (0.44) KMT2AMEN1TDP1ALDH1A1
SCHEMBL9730954 0.67 SMN1; SMN2 (0.49) KMT2AMEN1ALDH1A1

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-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed