SCHEMBL9575685

SCHEMBL9575685

CN(C)C(=O)Sc1ccccc1C(=O)c1cccc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.42
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VNN1 O95497 5/20 0.40
MAPK14 Q16539 1/20 0.39
CLK1 P49759 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
GRM5 P41594 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9575692 0.86 MAPT (0.40) GSK3BSMN1; SMN2KMT2AALDH1A1
SCHEMBL9575519 0.84 KMT2A (0.46) VNN1KMT2AALDH1A1
SCHEMBL9575469 0.81 AKR1C3 (0.47) KMT2AALDH1A1
SCHEMBL9797697 0.80 GSK3B (0.43) GSK3BHTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9575680 0.78 GAA (0.46) HTTSMN1; SMN2KMT2AALDH1A1TSHR
SCHEMBL5784328 0.74 ALDH1A1 (0.42) GSK3BHTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9575571 0.74 GSK3B (0.51) GSK3BHTTVNN1MAPK14CLK1
SCHEMBL9575709 0.73 ELANE (0.41) GSK3BHTTKDM4ESMN1; SMN2HSD17B10
SCHEMBL9575562 0.73 GSK3B (0.54) GSK3BHTTVNN1MAPK14CLK1
SCHEMBL11057542 0.73 GSK3B (0.50) GSK3BHTTVNN1MAPK14CLK1

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