SCHEMBL8933553

SCHEMBL8933553

CCOc1cc(/C=C2\SCNC2=O)cc(-c2ccccc2SC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.44
EGFR P00533 1/20 0.42
PIM1 P11309 2/20 0.42
PIM3 Q86V86 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
DYRK1A Q13627 2/20 0.42
DYRK2 Q92630 1/20 0.42
GAA P10253 3/20 0.40
MGAM O43451 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
PDE4B Q07343 3/20 0.39
PDE3A Q14432 3/20 0.39
GSK3B P49841 1/20 0.39
HPGD P15428 5/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 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
SCHEMBL8933557 1.00 IGF1R (0.44) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8307815 0.85 DYRK1A (0.61) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8307819 0.85 DYRK1A (0.61) IGF1RPIM1PIM3PIM2DYRK1A
SCHEMBL8933490 0.82 GAA (0.40) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8991940 0.82 GAA (0.40) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8537292 0.80 GAA (0.38) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8537293 0.80 GAA (0.38) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8535804 0.80 GAA (0.38) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8933559 0.78 IGF1R (0.45) IGF1REGFRPIM1PIM3PIM2
SCHEMBL8310599 0.78 MAPT (0.56) GAAKMT2AALDH1A1MAPTMEN1

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