SCHEMBL8537294

SCHEMBL8537294

CCOc1cc(C=C2SCN(N(C)C)C2=O)cc(-c2sccc2C)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.38
ALOX5 P09917 1/20 0.36
FABP4 P15090 1/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
PIM2 Q9P1W9 2/20 0.36
MEN1 O00255 9/20 0.34
KMT2A Q03164 9/20 0.34
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
PPARG P37231 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8933494 0.88 IGF1R (0.40) IGF1RALOX5FABP4PIM1PIM3
SCHEMBL8535807 0.84 MEN1 (0.36) IGF1RFABP4PIM1PIM3PIM2
SCHEMBL8933462 0.81 FABP4 (0.47) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8933559 0.80 IGF1R (0.45) IGF1RALOX5PIM1PIM3PIM2
SCHEMBL8535804 0.80 GAA (0.38) IGF1RALOX5FABP4PIM1PIM3
SCHEMBL8537293 0.80 GAA (0.38) IGF1RALOX5FABP4PIM1PIM3
SCHEMBL8537292 0.80 GAA (0.38) IGF1RALOX5FABP4PIM1PIM3
SCHEMBL8310606 0.78 MAPT (0.56) FABP4MEN1KMT2AMAPTALDH1A1
SCHEMBL8535396 0.78 PIM1 (0.58) FABP4PIM1PIM3PIM2MEN1
SCHEMBL8535392 0.78 PIM1 (0.58) FABP4PIM1PIM3PIM2MEN1

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