SCHEMBL13998636

SCHEMBL13998636

Cc1ccc(CN2CCS/C2=N\C#N)cn1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
PDE4B Q07343 14/20 0.50
PDE4D Q08499 7/20 0.45
CHRNA1 P02708 1/20 0.42
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRM1 P11229 1/20 0.35

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
SCHEMBL236412 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B
Thiacloprid SCHEMBL29412294 0.85 CHRNA7 (1.00) CHRNA7MEN1KMT2ATDP1PDE4B
Thiacloprid SCHEMBL26491 0.85 CHRNA7 (1.00) CHRNA7MEN1KMT2ATDP1PDE4B
SCHEMBL238080 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B
SCHEMBL236411 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B
Thiacloprid SCHEMBL237347 0.85 CHRNA7 (1.00) CHRNA7MEN1KMT2ATDP1PDE4B
Thiacloprid SCHEMBL15757034 0.85 CHRNA7 (1.00) CHRNA7MEN1KMT2ATDP1PDE4B
SCHEMBL238079 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B
SCHEMBL10060151 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B
SCHEMBL238948 0.85 CHRNA7 (0.74) CHRNA7MEN1KMT2ATDP1PDE4B

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-1686857-B1 COMBINATION OF ACTIVE SUBSTANCES WITH INSECTICIDAL PROPERTIES BAYER CROPSCIENCE AG (DE) 2008-12-10 EP disclosed