SCHEMBL9797697

SCHEMBL9797697

CN(C)C(=O)Sc1ccc(C(=O)c2cccc(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
VNN1 O95497 15/20 0.42
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9797395 0.86 CA1 (0.43) GSK3BVNN1
SCHEMBL5784328 0.82 ALDH1A1 (0.42) GSK3BKDM4EHTTSMN1; SMN2HSD17B10
SCHEMBL28861673 0.80 HPGD (0.55) SMN1; SMN2
SCHEMBL9575685 0.80 GSK3B (0.42) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL2580324 0.78 ALDH1A1 (0.43) GSK3BKDM4EHTT
SCHEMBL4201889 0.76 ATM (0.63) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL9797687 0.75 ALDH1A1 (0.51) HTT
SCHEMBL7273846 0.75 CLK1 (0.58) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL9797638 0.75 MAPT (0.42) HTTSMN1; SMN2
SCHEMBL9352583 0.75 NCEH1 (0.45) DYRK1A

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
US-4996347-A Anticoagulant FOURNIER INNOVATION ET SYNERGIE (FR) 1991-02-26 US disclosed
US-4877808-A ANTITHROMBOTICS FOURNIER INNOVATION ET SYNERGIE (FR) 1989-10-31 US disclosed