SCHEMBL8537293

SCHEMBL8537293

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
IGF1R P08069 1/20 0.38
DVL1 O14640 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL8535804 1.00 GAA (0.38) GAAMGAMSIMGAM2IGF1R
SCHEMBL8537292 1.00 GAA (0.38) GAAMGAMSIMGAM2IGF1R
SCHEMBL8991940 0.88 GAA (0.40) GAAMGAMSIMGAM2IGF1R
SCHEMBL8933490 0.88 GAA (0.40) GAAMGAMSIMGAM2IGF1R
SCHEMBL8933459 0.82 KMT2A (0.46) GAAMGAMSIMGAM2DVL1
SCHEMBL8986231 0.82 KMT2A (0.46) GAAMGAMSIMGAM2DVL1
SCHEMBL8991958 0.82 KMT2A (0.46) GAAMGAMSIMGAM2DVL1
SCHEMBL8933557 0.80 IGF1R (0.44) GAAMGAMSIMGAM2IGF1R
SCHEMBL8933553 0.80 IGF1R (0.44) GAAMGAMSIMGAM2IGF1R
SCHEMBL8537294 0.80 IGF1R (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
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
US-5387690-A Method of treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1995-02-07 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed