SCHEMBL7080667

SCHEMBL7080667

CCC(C)CCc1ccc2c(O)c(C#N)c(=O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
PDE9A O76083 3/20 0.39
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIK2 Q13002 1/20 0.37
GRIK3 Q13003 1/20 0.37
DAO P14920 1/20 0.34
PARP1 P09874 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BIRC5 O15392 1/20 0.34
PIM1 P11309 1/20 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
SCHEMBL7079071 0.90 KDM5A (0.48) KDM5AKDM5CKDM5BPDE9AGRIK1
SCHEMBL13279916 0.81 KDM5A (0.46) KDM5AKDM5CKDM5BPDE9AKDM4E
SCHEMBL18584520 0.75 FEN1 (0.51) KDM5AKDM5CKDM5BPDE9AKDM4E
SCHEMBL7160282 0.75 KDM5A (0.50) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL356250 0.74 KDM5A (0.49) KDM5AKDM5CKDM5BKDM4EALDH1A1
SCHEMBL359150 0.73 KDM5A (0.57) KDM5AKDM5CKDM5BPDE9ADAO
SCHEMBL2056351 0.73 PDE9A (0.54) KDM5AKDM5CKDM5BPDE9ADAO
SCHEMBL2126317 0.71 KDM5A (0.57) KDM5AKDM5CKDM5BDAOPARP1
SCHEMBL7078810 0.70 KDM5A (0.43) KDM5AKDM5CKDM5BPDE9APARP1
SCHEMBL13913155 0.67 KDM5A (0.63) KDM5AKDM5CKDM5BPDE9ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO claimed
WO-2003059356-A2 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2003-07-24 WO disclosed