SCHEMBL8773748

SCHEMBL8773748

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
FGFR4 P22455 1/20 0.34
GRM5 P41594 3/20 0.33
ACACB O00763 1/20 0.33
GLA P06280 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 2/20 0.31
FSCN1 Q16658 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
SCHEMBL8769264 0.90 FGFR4 (0.34) CYP11B1CYP11B2FGFR4GRM5ACACB
SCHEMBL8768678 0.78 ACACB (0.38) GRM5ACACBLMNAPTGDR2
SCHEMBL8768738 0.76 GRM5 (0.44) FGFR4GRM5ACACB
SCHEMBL9191662 0.75 CNR1 (0.45)
SCHEMBL9550193 0.75 CNR1 (0.45)
SCHEMBL9317149 0.74 CYP11B1 (0.34) CYP11B1CYP11B2GRM5ACACBKMT2A
SCHEMBL9193003 0.71 CLK1 (0.38) FGFR4GRM5
SCHEMBL8768296 0.70 ACACB (0.41) GRM5ACACBKMT2AMEN1LMNA
SCHEMBL9315120 0.69 PTGDR2 (0.34) CYP11B1CYP11B2GRM5ACACBPTGDR2
SCHEMBL9318846 0.68 GRM5 (0.45) GRM5ACACBKMT2AMEN1

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