SCHEMBL8768301

SCHEMBL8768301

COC(=O)CN(C)c1cccc(C#Cc2ccc(F)cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
TRPV3 Q8NET8 1/20 0.37
ACACB O00763 2/20 0.36
ALDH1A1 P00352 1/20 0.35
EGFR P00533 4/20 0.34
ERBB2 P04626 4/20 0.34
GRM5 P41594 1/20 0.34
MDM2 Q00987 3/20 0.34
NR3C2 P08235 4/20 0.33
NR3C1 P04150 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8768678 0.90 ACACB (0.38) PTGDR2ACACBALDH1A1GRM5MAPT
SCHEMBL8769148 0.88 ACACB (0.42) ACACBALDH1A1GRM5MAPT
SCHEMBL25234238 0.84 PGK1 (0.35) PTGDR2ALDH1A1MDM2NR3C2NR3C1
SCHEMBL8769345 0.77 ACACB (0.39) ACACBALDH1A1GRM5
SCHEMBL25224655 0.74 PGK1 (0.34) PTGDR2EGFRERBB2MDM2NR3C2
SCHEMBL8768691 0.74 ACACB (0.35) ACACBALDH1A1
SCHEMBL25272926 0.68 HSD17B10 (0.36) ACACBALDH1A1MAPT
SCHEMBL8773748 0.68 CYP11B1 (0.37) PTGDR2ACACBGRM5
SCHEMBL8768674 0.67 CLK1 (0.40) ALDH1A1GRM5
SCHEMBL25227276 0.67 GRM2 (0.35) PTGDR2MDM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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