SCHEMBL27720286

SCHEMBL27720286

COc1cccc(Nc2nccc(-c3sc(NCC4CCCO4)nc3C)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.55
PAK1 Q13153 1/20 0.55
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CDK2 P24941 10/20 0.53
CDK1 P06493 6/20 0.53
AURKA O14965 4/20 0.53
AURKB Q96GD4 4/20 0.53
FLT3 P36888 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53

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
SCHEMBL2286493 0.91 PAK4 (0.53) PAK4PAK1MAPTKDM4EALDH1A1
SCHEMBL2286333 0.89 CDK2 (0.64) CDK2CDK1AURKAAURKBMAPK1
SCHEMBL27741376 0.89 CDK2 (0.59) MAPTSMN1; SMN2CDK2CDK1AURKA
SCHEMBL27741378 0.88 CDK4 (0.55) PAK4KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2282854 0.88 PAK4 (0.51) PAK4PAK1MAPTKDM4EALDH1A1
SCHEMBL2283651 0.86 PAK4 (0.55) PAK4PAK1MAPTKDM4EALDH1A1
SCHEMBL27720301 0.86 CDK2 (0.49) PAK4ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2285488 0.86 CDK2 (0.50) PAK4HPGDHTTCDK2CDK1
SCHEMBL2283561 0.86 CDK2 (0.50) CDK2CDK1AURKAAURKBJAK2
SCHEMBL27720314 0.85 CDK2 (0.57) PAK4SMN1; SMN2CDK2CDK1AURKA

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
CN-101309586-A Thiazole compounds as fungicides BAYER CROPSCIENCE AG (DE) 2008-11-19 CN disclosed