SCHEMBL2555060

SCHEMBL2555060

COC1CC12C(=O)Nc1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
KMT2A Q03164 2/20 0.48
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
BACE1 P56817 2/20 0.46
PLK4 O00444 7/20 0.42
AURKB Q96GD4 4/20 0.42
CYP2C19 P33261 1/20 0.42
FLT3 P36888 1/20 0.42
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
IDO1 P14902 1/20 0.40
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL2573765 0.80 GSK3B (0.59) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL19216470 0.80 GSK3B (0.59) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL30548926 0.80 GSK3B (0.59) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL4778699 0.76 GSK3B (0.55) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL23501944 0.74 GSK3B (0.50) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL14555908 0.74 GSK3B (0.50) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL20371453 0.74 GSK3B (0.50) GSK3BKMT2APDK2PDK4BACE1
SCHEMBL1975325 0.74 PLK4 (0.55) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL1973991 0.74 PLK4 (0.55) GSK3BPDK2PDK4PLK4AURKB
SCHEMBL31435686 0.72 GSK3B (0.51) GSK3BKMT2APDK2PDK4BACE1

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
EP-2556070-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES University Health Network (CA) 2013-02-13 EP disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed