SCHEMBL3256240

SCHEMBL3256240

N#CN=C1NCCNC1c1ccc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.39
CHRNA4 P43681 9/20 0.39
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CHRNA7 P36544 5/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
HPGD P15428 1/20 0.36
CHRND Q07001 1/20 0.36
CHRNA2 Q15822 1/20 0.36

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
SCHEMBL12778051 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3256237 1.00 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1747668 0.74 MAP4K1 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1747783 0.74 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7128063 0.70 CHRNA7 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27585166 0.69 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9025940 0.69 CHRNA7 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7127186 0.69 CHRNA7 (0.41) CHRNB2CHRNA4CHRNA3CHRNA7ALDH1A1
SCHEMBL9025877 0.67 CHRNA7 (0.40) CHRNB2CHRNA4CHRNA3CHRNA7ALDH1A1
SCHEMBL615245 0.63 CHRNB2 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572656-B1 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2010-05-26 EP disclosed
EP-1572656-A4 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2006-09-06 EP disclosed
EP-1572656-A2 COMPOUNDS USEFUL AS PESTICIDES Dow Agrosciences LLC (US) 2005-09-14 EP disclosed
WO-2004057960-A2 COMPOUNDS USEFUL AS PESTICIDES DOW AGROSCIENCES LLC (US) 2004-07-15 WO disclosed