SCHEMBL8685285

SCHEMBL8685285

CCC(CC)Cn1ccc2c(CN3C(=O)CSC3=O)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 2/20 0.38
ALDH1A1 P00352 6/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PPARG P37231 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
SCHEMBL8686360 0.82 GSK3A (0.48) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8685120 0.80 PIM1 (0.60) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8687928 0.78 PIM1 (0.51) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8691072 0.78 PIM1 (0.72) PIM1GSK3AGSK3BALDH1A1GAA
SCHEMBL8685413 0.78 GSK3A (0.49) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8686639 0.78 PIM1 (0.48) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8688089 0.78 PIM1 (0.61) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8685306 0.78 PIM1 (0.48) PIM1GSK3AGSK3BALDH1A1HTR2C
SCHEMBL8685516 0.78 ALDH1A1 (0.46) PIM1GSK3AGSK3BPOLBALDH1A1
SCHEMBL8686647 0.77 PIM1 (0.53) PIM1GSK3AGSK3BPOLBALDH1A1

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed