SCHEMBL9797519

SCHEMBL9797519

N#Cc1cccc(C(=O)c2ccc(S)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
VNN1 O95497 16/20 0.49
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4201889 0.86 ATM (0.63) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL7273846 0.85 CLK1 (0.58) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL6651723 0.83 GSK3B (0.53) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL11445310 0.83 VNN1 (0.61) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL5962858 0.82 CA2 (0.55) GSK3BVNN1
SCHEMBL31242982 0.82 ATM (0.67) CLK1DYRK1ADYRK1BATMTDP1
SCHEMBL9856491 0.81 GSK3B (0.54) GSK3BVNN1CLK1DYRK1ADYRK1B
SCHEMBL7780410 0.80 VNN1 (0.63) GSK3BVNN1L3MBTL1
SCHEMBL507406 0.80 GSK3B (0.60) GSK3BVNN1
SCHEMBL6832704 0.79 GSK3B (0.56) GSK3BVNN1CLK1DYRK1ADYRK1B

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