SCHEMBL18138249

SCHEMBL18138249

CCCn1cc(N=O)c(NC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SCD O00767 1/20 0.33
CYP17A1 P05093 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
BCL2 P10415 1/20 0.31

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
SCHEMBL18138237 0.90 RORC (0.37) GSK3BDYRK1APTGDR2MAPK14HDAC3
SCHEMBL18138239 0.82 DRD2 (0.39) GSK3BDYRK1APTGDR2HDAC3HDAC8
SCHEMBL18138297 0.77 GSK3B (0.33) GSK3BDYRK1APTGDR2HDAC3HDAC8
SCHEMBL24896677 0.72 L3MBTL1 (0.46) CNR2MAPK14HDAC3HDAC8NCOR2
SCHEMBL27457664 0.69 GSK3B (0.37) CNR2GSK3BDYRK1APTGDR2MAPK14
SCHEMBL28006554 0.69 GSK3B (0.45) CNR2GSK3BDYRK1AMAPK14CYP17A1
SCHEMBL18138248 0.69 L3MBTL1 (0.46) L3MBTL1NPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15885557 0.69 NPSR1 (0.54) GSK3BDYRK1APTGDR2MAPK14L3MBTL1
SCHEMBL19026780 0.69 RAB9A (0.36) CYP17A1NPC1RAB9ARECQLSMN1; SMN2
SCHEMBL18138351 0.68 PRMT1 (0.36) PTGDR2MAPK14L3MBTL1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed