SCHEMBL711443

SCHEMBL711443

Nc1ncc(C=c2sc(=CN=Nc3ccc(OCCN4CCCCC4)cc3Cl)[nH]c2=O)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ADORA2A P29274 3/20 0.36
ADORA1 P30542 3/20 0.36
HPGD P15428 1/20 0.36
KDR P35968 1/20 0.36
ACHE P22303 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
PARP1 P09874 2/20 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
SCHEMBL711444 0.85 CHEK2 (0.35) HPGD
SCHEMBL711442 0.85 CHEK2 (0.35) HPGD
SCHEMBL701907 0.77 KDM4E (0.37) KDM4EPARP1
SCHEMBL701908 0.77 KDM4E (0.37) KDM4EPARP1
SCHEMBL651234 0.77 HPGD (0.48) KDM4EPOLBHPGDHRH3
SCHEMBL710608 0.72 MAPT (0.34) POLBHPGD
SCHEMBL710607 0.72 MAPT (0.34) POLBHPGD
SCHEMBL708157 0.72 SYK (0.35) ADORA2AADORA1HRH3PARP1
SCHEMBL10176546 0.69 HPGD (0.48) KDM4EPOLBHPGDHRH3
SCHEMBL705496 0.66 PIK3CA (0.37) KDRPARP1

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