SCHEMBL8685237

SCHEMBL8685237

CC(c1ccccc1)n1ccc2c(CN3C(=O)CSC3=O)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.35
HTR6 P50406 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL8687562 0.87 GSK3A (0.50) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8685285 0.76 PIM1 (0.47) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8685583 0.76 HTR6 (0.59) PIM1GSK3AGSK3BHTR6CYP3A4
SCHEMBL8686737 0.75 PIM1 (0.49) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8687928 0.74 PIM1 (0.51) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8691072 0.74 PIM1 (0.72) PIM1GSK3AGSK3BALDH1A1KMT2A
SCHEMBL8686639 0.74 PIM1 (0.48) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL7635264 0.74 PIM1 (0.64) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8691044 0.74 GSK3A (0.52) PIM1GSK3AGSK3BALDH1A1POLB
SCHEMBL8685306 0.74 PIM1 (0.48) PIM1GSK3AGSK3BALDH1A1MEN1

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