SCHEMBL14101254

SCHEMBL14101254

CN(Cc1ccc(Cl)nc1)C1=NC(=N)SC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14101253 0.78 CHRNA7 (0.45) CHRNA1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL14101262 0.73 ALDH1A1 (0.38) CHRNA1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL230085 0.71 ALDH1A1 (0.37) LMNAL3MBTL1ALDH1A1
SCHEMBL2892268 0.71 ALDH1A1 (0.37) CHRNA1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL1165022 0.71 CHRNA1 (0.36) CHRNA1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL29571581 0.71 ALDH1A1 (0.37) LMNAL3MBTL1ALDH1A1
SCHEMBL611713 0.69 ALDH1A1 (0.47) CHRNB2CHRNA4LMNAL3MBTL1ALDH1A1
SCHEMBL31093396 0.69 ALDH1A1 (0.47) CHRNB2CHRNA4LMNAL3MBTL1ALDH1A1
SCHEMBL29607692 0.69 ALDH1A1 (0.47) LMNAL3MBTL1ALDH1A1
SCHEMBL28473856 0.69 ALDH1A1 (0.47) LMNAL3MBTL1ALDH1A1

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
US-7417150-B2 Azoles having an insecticidal action BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
US-7417150-B2 Azoles having an insecticidal action BAYER CROPSCIENCE AG (DE) 2008-08-26 US disclosed
EP-1383751-B1 NOVEL AZOLES HAVING AN INSECTICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2007-01-17 EP disclosed