SCHEMBL14101253

SCHEMBL14101253

CN(Cc1ccc(Cl)nc1)C1=N/C(=N/C#N)SC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
AR P10275 1/20 0.32
CHRNA1 P02708 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 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
SCHEMBL14101254 0.78 CHRNA1 (0.41) CHRNA7CHRNB2CHRNA4CHRNA1LMNA
SCHEMBL6826416 0.77 CHRNA7 (0.49) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL7636278 0.69 CHRNB2 (0.40) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL14101262 0.68 ALDH1A1 (0.38) CHRNA7MEN1KMT2ACHRNB2CHRNA4
SCHEMBL9133989 0.67 CHRNB2 (0.41) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL9133987 0.67 CHRNB2 (0.41) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL15010156 0.67 ALDH1A1 (0.47) CHRNA7MEN1KMT2ATDP1CHRNB2
SCHEMBL2892268 0.66 ALDH1A1 (0.37) CHRNA7MEN1KMT2ACHRNB2CHRNA4
SCHEMBL1165022 0.66 CHRNA1 (0.36) CHRNA7CHRNB2CHRNA4CHRNA1LMNA
SCHEMBL29571581 0.66 ALDH1A1 (0.37) MEN1KMT2ALMNAL3MBTL1

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