SCHEMBL8769345

SCHEMBL8769345

COC(=O)CN(C)c1cccc(C#C[Si](C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.39
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NR1I2 O75469 1/20 0.32
GRM5 P41594 4/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL8768691 0.84 ACACB (0.35) ACACBHCRTR1HCRTR2NPC1RAB9A
SCHEMBL8768678 0.78 ACACB (0.38) ACACBNPC1RAB9AGRM5ALDH1A1
SCHEMBL25272926 0.77 HSD17B10 (0.36) ACACBNPC1RAB9ANR1I2ALDH1A1
SCHEMBL8768301 0.77 PTGDR2 (0.38) ACACBGRM5ALDH1A1
SCHEMBL8769148 0.77 ACACB (0.42) ACACBNPC1RAB9AGRM5ALDH1A1
SCHEMBL8768674 0.76 CLK1 (0.40) NPC1RAB9AGRM5ALDH1A1HPGD
SCHEMBL9399671 0.73 CNR1 (0.46) NPC1RAB9AALDH1A1HPGDKMT2A
SCHEMBL23674168 0.70 ACACA (0.40) ACACBNPC1RAB9AALDH1A1HPGD
SCHEMBL9158138 0.70 CNR1 (0.54) NPC1RAB9AALDH1A1KMT2A
SCHEMBL8175471 0.70 MAPT (0.46) NPC1RAB9AGRM5ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP claimed
EP-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP disclosed
US-5371095-A Fungicides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
EP-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP disclosed