SCHEMBL8905985

SCHEMBL8905985

CCOc1cc(C=C2SC(=S)NC2=O)cc(-c2ccc(SC)cc2)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.61
PIM1 P11309 3/20 0.61
PIM3 Q86V86 3/20 0.61
PIM2 Q9P1W9 3/20 0.61
DYRK2 Q92630 1/20 0.61
PDE4B Q07343 6/20 0.59
PDE3A Q14432 5/20 0.59
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CISD1 Q9NZ45 2/20 0.53
IGF1R P08069 1/20 0.51
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
POLB P06746 3/20 0.49

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
SCHEMBL8307819 0.85 DYRK1A (0.61) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL8307815 0.85 DYRK1A (0.61) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL8307820 0.79 DYRK1A (0.61) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL9472266 0.77 EGFR (0.67) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL9472275 0.77 EGFR (0.67) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL29377541 0.76 PIM1 (1.00) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL8165608 0.76 PIM1 (1.00) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL8165609 0.76 PIM1 (1.00) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL15421616 0.76 PIM1 (1.00) DYRK1APIM1PIM3PIM2DYRK2
SCHEMBL8311581 0.75 PDE4B (1.00) DYRK1APIM1PIM3PIM2DYRK2

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-5661168-A ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed