SCHEMBL3842933

SCHEMBL3842933

C[Si](C)(C)C[N]c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.36
CYP2A13 Q16696 1/20 0.34
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KCNH2 Q12809 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
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
SCHEMBL3846788 0.87 KDM4E (0.32) SMN1; SMN2ALDH1A1
SCHEMBL10387393 0.69 MEN1 (0.43) TAAR1MEN1KMT2AGAAHTT
SCHEMBL8155665 0.69 TAAR1 (0.41) TAAR1MEN1KMT2AGAACYP2A13
SCHEMBL8097830 0.68 TAAR1 (0.37) TAAR1MEN1KMT2AGAANPSR1
SCHEMBL3850997 0.67
SCHEMBL5453051 0.66 CYP1A2 (0.43) TAAR1MEN1KMT2AGAAHTT
SCHEMBL2255317 0.65 CFD (0.34) HTTNPSR1SMN1; SMN2KCNH2HPGD
SCHEMBL3842935 0.64 PTGS2 (0.39) TAAR1MEN1KMT2AGAASMN1; SMN2
SCHEMBL12129077 0.64 L3MBTL1 (0.47) TAAR1MEN1KMT2AGAAATM
SCHEMBL1950281 0.64 GABRA1 (0.47) TAAR1MEN1KMT2AGAAHTT

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