SCHEMBL8933559

SCHEMBL8933559

CCOc1cc(C=C2SCNC2=O)cc(-c2sccc2C)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.45
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
DYRK1A Q13627 2/20 0.40
DYRK2 Q92630 1/20 0.40
ALOX5 P09917 1/20 0.40
PDE4B Q07343 3/20 0.38
PDE3A Q14432 3/20 0.38
EGFR P00533 1/20 0.37
PTPN7 P35236 1/20 0.37
PTPN12 Q05209 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL8307820 0.84 DYRK1A (0.61) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8933494 0.82 IGF1R (0.40) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8537294 0.80 IGF1R (0.38) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8933553 0.78 IGF1R (0.44) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8933557 0.78 IGF1R (0.44) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8310606 0.77 MAPT (0.56) MEN1KMT2AALDH1A1MAPTNPSR1
SCHEMBL8933462 0.75 FABP4 (0.47) PDE4BMEN1KMT2AALDH1A1MAPT
SCHEMBL8584348 0.69 GAA (0.36) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL8534279 0.66 CYP1A2 (0.41) IGF1RPIM1PIM3PIM2ALOX5
SCHEMBL8534281 0.66 CYP1A2 (0.41) IGF1RPIM1PIM3PIM2ALOX5

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
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed