SCHEMBL3842935

SCHEMBL3842935

C[Si](C)(C)CNc1c(F)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.39
KCNH2 Q12809 3/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 2/20 0.38
GAA P10253 2/20 0.38
ABCB11 O95342 1/20 0.38
PPARG P37231 1/20 0.38
NR1I3 Q14994 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
P2RX7 Q99572 1/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
MAT2A P31153 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL3846790 0.87 KMT2A (0.33) KCNH2MEN1KMT2AALDH1A1
SCHEMBL2865982 0.79 MEN1 (0.41) PTGS2MAPTPTGS1GAAABCB11
SCHEMBL26406461 0.75 TAAR1 (0.42) PTGS2KCNH2MAPTPTGS1GAA
SCHEMBL3848780 0.75 RAPGEF4 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL9228613 0.72 KCNH2 (0.46) PTGS2KCNH2PTGS1GAAABCB11
SCHEMBL3845491 0.72 TRPM5 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL22322672 0.71 GAA (0.39) PTGS2KCNH2MAPTPTGS1GAA
SCHEMBL5216623 0.69 TAAR1 (0.45) PTGS2KCNH2MAPTPTGS1GAA
SCHEMBL29565775 0.69 TAAR1 (0.45) PTGS2KCNH2MAPTPTGS1GAA
SCHEMBL14824903 0.69 GAA (0.49) PTGS2KCNH2PTGS1GAAABCB11

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