SCHEMBL16637887

SCHEMBL16637887

C[Si](C)(C)CCOc1cccc(Br)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.63
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
DGAT1 O75907 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
KDM1A O60341 1/20 0.32
MAPK8 P45983 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6743 0.81 HTR7 (0.67) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL25028948 0.80 HTR7 (0.65) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL7285 0.80 HTR7 (0.65) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL12747708 0.80 HTR7 (0.60) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL12747722 0.79 HTR7 (0.58) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL23364685 0.79 HTR7 (0.63) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL29932740 0.79 HTR7 (0.63) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL1810138 0.78 HTR7 (0.62) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL30438014 0.78 HTR7 (0.62) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL18354457 0.78 HTR7 (0.62) HTR7CDK9DYRK1ADYRK2CHRNB2

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
WO-2015052103-A1 PESTICIDALLY ACTIVE N-IMINOPYRIDINIUM YLIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed
WO-2015052103-A1 PESTICIDALLY ACTIVE N-IMINOPYRIDINIUM YLIDE COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed