SCHEMBL7160282

SCHEMBL7160282

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.50
KDM5C P41229 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
XDH P47989 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH2 P05091 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GABRA1 P14867 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PPARG P37231 1/20 0.38
GABRB2 P47870 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL18584520 0.80 FEN1 (0.51) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL356250 0.79 KDM5A (0.49) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL7079071 0.78 KDM5A (0.48) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL13279916 0.76 KDM5A (0.46) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL2126317 0.75 KDM5A (0.57) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL359150 0.75 KDM5A (0.57) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL7080667 0.75 KDM5A (0.45) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL7078810 0.72 KDM5A (0.43) KDM5AKDM5CKDM5BXDHALDH1A1
SCHEMBL2056351 0.72 PDE9A (0.54) KDM5AKDM5CKDM5BALDH1A1KDM4E
SCHEMBL6434650 0.72 XDH (0.48) XDHALDH1A1KDM4EMEN1ALDH2

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