SCHEMBL9575571

SCHEMBL9575571

N#Cc1cccc(C(=O)c2ccccc2O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
LIG1 P18858 1/20 0.50
CLK1 P49759 1/20 0.49
DYRK1A Q13627 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
VNN1 O95497 5/20 0.47
XDH P47989 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
MAPK14 Q16539 1/20 0.46
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
P2RX1 P51575 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
P4HB P07237 1/20 0.43
GSTA1 P08263 1/20 0.42

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
SCHEMBL9575562 0.83 GSK3B (0.54) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL11057542 0.83 GSK3B (0.50) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL296367 0.82 LIG1 (0.64) LIG1HTTMEN1KMT2AALDH1A1
SCHEMBL29499083 0.82 LIG1 (0.64) LIG1HTTMEN1KMT2AALDH1A1
SCHEMBL12829248 0.82 NPC1 (0.50) GSK3BHTTMEN1KMT2AP2RX1
SCHEMBL9075991 0.82 XDH (0.49) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL9575745 0.81 LIG1 (0.65) GSK3BLIG1MEN1KMT2AALDH1A1
SCHEMBL4201889 0.81 ATM (0.63) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL7473918 0.80 GSK3B (0.48) GSK3BCLK1DYRK1ADYRK1BVNN1
SCHEMBL9575546 0.79 NPC1 (0.47) GSK3BVNN1MAPK14GAAP4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed