SCHEMBL8524167

SCHEMBL8524167

N#Cc1cc2ccccc2c(-c2c(O)c(C#N)cc3ccccc23)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
ALOX5 P09917 1/20 0.42
TRPM4 Q8TD43 1/20 0.41
NQO2 P16083 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
NQO1 P15559 1/20 0.39
XDH P47989 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
SCHEMBL28345506 0.90 FASN (0.43) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL20561997 0.81 CLK1 (0.44) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL20563958 0.81 CLK1 (0.44) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL10338293 0.79 KDM4E (0.59) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL11309875 0.78 ERN1 (0.49) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL151389 0.75 NCOA3 (0.65) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL31588629 0.75 NCOA3 (0.65) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL31588569 0.74 ESR2 (0.59) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL8913792 0.74 ESR2 (0.59) CLK1DYRK1AKDM4EALDH1A1GAA
SCHEMBL29614953 0.74 ESR2 (0.59) CLK1DYRK1AKDM4EALDH1A1GAA

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
EP-0938488-A1 PHOSPHINE LIGANDS OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 1999-09-01 EP disclosed
WO-1998012202-A1 PHOSPHINE LIGANDS OXFORD ASYMMETRY INTERNATIONAL PLC. (GB) 1998-03-26 WO disclosed