SCHEMBL8685306

SCHEMBL8685306

COc1ccccc1Cn1ccc2c(CN3C(=O)CSC3=O)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.48
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.41
DBH P09172 1/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR2C P28335 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL8685750 0.88 PIM1 (0.49) PIM1GSK3AGSK3BUSP2HSD17B10
SCHEMBL8685620 0.84 GSK3A (0.50) PIM1GSK3AGSK3BGAAALDH1A1
SCHEMBL8691072 0.83 PIM1 (0.72) PIM1GSK3AGSK3BGAAKDM4E
SCHEMBL8687928 0.83 PIM1 (0.51) PIM1GSK3AGSK3BALDH1A1CNR2
SCHEMBL8690593 0.82 MAPT (0.46) PIM1GSK3AGSK3BKDM4EALDH1A1
SCHEMBL8685916 0.82 PIM1 (0.56) PIM1GSK3AGSK3BALDH1A1TSHR
SCHEMBL8686737 0.81 PIM1 (0.49) PIM1GSK3AGSK3BGAAALDH1A1
SCHEMBL8686647 0.80 PIM1 (0.53) PIM1GSK3AGSK3BALDH1A1TP53
SCHEMBL8685120 0.80 PIM1 (0.60) PIM1GSK3AGSK3BALDH1A1HTR2C
SCHEMBL8686360 0.80 GSK3A (0.48) PIM1GSK3AGSK3BALDH1A1MAPT

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