SCHEMBL8933490

SCHEMBL8933490

CCOc1cc(C=C2SCN(C)C2=O)cc(-c2ccccc2SC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
MGAM O43451 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
IGF1R P08069 1/20 0.39
PTP4A3 O75365 1/20 0.39
PPARG P37231 1/20 0.38
DVL1 O14640 1/20 0.38
PIM1 P11309 2/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
KMT2A Q03164 7/20 0.37
MEN1 O00255 6/20 0.37
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
NPSR1 Q6W5P4 4/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 3/20 0.37

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
SCHEMBL8991940 1.00 GAA (0.40) GAAMGAMSIMGAM2IGF1R
SCHEMBL8537293 0.88 GAA (0.38) GAAMGAMSIMGAM2IGF1R
SCHEMBL8535804 0.88 GAA (0.38) GAAMGAMSIMGAM2IGF1R
SCHEMBL8537292 0.88 GAA (0.38) GAAMGAMSIMGAM2IGF1R
SCHEMBL8310599 0.83 MAPT (0.56) GAAPTP4A3DVL1KMT2AMEN1
SCHEMBL8310604 0.83 MAPT (0.56) GAAPTP4A3DVL1KMT2AMEN1
SCHEMBL8933557 0.82 IGF1R (0.44) GAAMGAMSIMGAM2IGF1R
SCHEMBL8933553 0.82 IGF1R (0.44) GAAMGAMSIMGAM2IGF1R
SCHEMBL8307819 0.80 DYRK1A (0.61) GAAMGAMSIMGAM2IGF1R
SCHEMBL8307815 0.80 DYRK1A (0.61) GAAMGAMSIMGAM2IGF1R

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