SCHEMBL8535396

SCHEMBL8535396

CCOc1cc(C=C2SCN(N(C)C)C2=O)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.58
PIM3 Q86V86 2/20 0.58
PIM2 Q9P1W9 2/20 0.58
DYRK1A Q13627 1/20 0.55
DYRK2 Q92630 1/20 0.55
MEN1 O00255 13/20 0.54
KMT2A Q03164 13/20 0.54
MAPT P10636 6/20 0.54
ALDH1A1 P00352 6/20 0.53
GAA P10253 5/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
POLB P06746 4/20 0.51
FABP4 P15090 1/20 0.51
RECQL P46063 2/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL8535392 1.00 PIM1 (0.58) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8537294 0.78 IGF1R (0.38) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8537293 0.77 GAA (0.38) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8537292 0.77 GAA (0.38) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8535804 0.77 GAA (0.38) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8532185 0.77 MEN1 (0.66) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8532182 0.77 MEN1 (0.66) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8582523 0.76 PIM1 (0.54) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL8535807 0.76 MEN1 (0.36) PIM1PIM3PIM2DYRK1ADYRK2
SCHEMBL15421525 0.74 PIM1 (1.00) PIM1PIM3PIM2DYRK1ADYRK2

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 8 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-5216002-A Using benzyl substituted rhodanine derivatives as pure enantiomeric form ELI LILLY AND COMPANY (US) 1993-06-01 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed