SCHEMBL711442

SCHEMBL711442

Nc1ncc(/C=c2\s/c(=C\N=Nc3ccc(OCCC4CCCCN4)cc3Cl)[nH]c2=O)s1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.35
AURKB Q96GD4 1/20 0.34
HPGD P15428 2/20 0.33

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
SCHEMBL711444 1.00 CHEK2 (0.35) CHEK2AURKBHPGD
SCHEMBL711443 0.85 KDM4E (0.39) HPGD
SCHEMBL651235 0.78 HPGD (0.42) CHEK2AURKBHPGD
SCHEMBL651233 0.78 HPGD (0.42) CHEK2AURKBHPGD
SCHEMBL708159 0.72 PIK3CA (0.35)
SCHEMBL710607 0.70 MAPT (0.34) HPGD
SCHEMBL710608 0.70 MAPT (0.34) HPGD
SCHEMBL705496 0.68 PIK3CA (0.37)
SCHEMBL6608189 0.65 LTA4H (0.49) CHEK2AURKB
SCHEMBL708157 0.65 SYK (0.35)

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-2423204-A1 THIAZOLIDINONE DERIVATIVE SBI Biotech Co., Ltd. (JP) 2012-02-29 EP disclosed