SCHEMBL23445928

SCHEMBL23445928

Nc1ccnc(NC(=O)N2CCOCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.50
GSK3B P49841 6/20 0.49
DYRK1A Q13627 6/20 0.49
KCNH2 Q12809 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL23446462 0.86 HDAC1 (0.47) PIK3C3SMN1; SMN2KDM4ENPC1HSD17B10
SCHEMBL23410473 0.83 MAPT (0.56) GSK3BDYRK1AKCNH2CYP2C9CYP2C19
SCHEMBL22511353 0.83 RAB9A (0.59) PIK3C3GSK3BDYRK1AKCNH2CYP2C9
SCHEMBL24883483 0.83 GSK3B (0.49) PIK3C3GSK3BDYRK1AKCNH2CYP2C9
SCHEMBL12992897 0.83 BLM (0.45) PIK3C3GSK3BDYRK1AKCNH2CYP2C9
SCHEMBL1833550 0.80 AXL (0.54)
SCHEMBL13860857 0.80 AXL (0.47) PIK3C3GSK3BDYRK1AKCNH2SMN1; SMN2
SCHEMBL4324348 0.80 AXL (0.45) PIK3C3GSK3BDYRK1AKCNH2SMN1; SMN2
SCHEMBL4944882 0.80 GSK3B (0.47) PIK3C3GSK3BDYRK1AKCNH2CYP2C9
SCHEMBL15986888 0.80 TSHR (0.58) GSK3BDYRK1AGAASMN1; SMN2KDM4E

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
WO-2021105474-A1 NEW COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed
WO-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 WO disclosed