SCHEMBL8532185

SCHEMBL8532185

CCOc1cc(C=C2SC(=S)N(N(C)C)C2=O)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.66
KMT2A Q03164 13/20 0.66
POLB P06746 6/20 0.66
GAA P10253 3/20 0.66
FABP4 P15090 1/20 0.66
MAPT P10636 10/20 0.64
ALDH1A1 P00352 7/20 0.64
THRB P10828 3/20 0.64
RECQL P46063 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NPC1 O15118 1/20 0.64
ALOX12 P18054 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 4/20 0.61
OPRK1 P41145 1/20 0.61
BLM P54132 1/20 0.61
ALPI P09923 1/20 0.61
PIM1 P11309 2/20 0.60
PIM3 Q86V86 2/20 0.60

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
SCHEMBL8532182 1.00 MEN1 (0.66) MEN1KMT2APOLBGAAFABP4
SCHEMBL8582708 0.85 MAPT (0.76) MEN1KMT2APOLBGAAFABP4
SCHEMBL8582710 0.85 MAPT (0.76) MEN1KMT2APOLBGAAFABP4
SCHEMBL20558690 0.81 FABP4 (0.81) MEN1KMT2APOLBGAAFABP4
SCHEMBL19999119 0.81 MEN1 (0.72) MEN1KMT2APOLBGAAFABP4
SCHEMBL20558689 0.81 FABP4 (0.81) MEN1KMT2APOLBGAAFABP4
SCHEMBL20005693 0.81 MEN1 (0.72) MEN1KMT2APOLBGAAFABP4
SCHEMBL8708703 0.80 MAPT (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8708705 0.80 MAPT (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL18102925 0.80 MEN1 (0.68) MEN1KMT2APOLBGAAFABP4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US claimed
EP-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP claimed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US claimed
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US 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-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0713903-A1 Dye preparations BASF AKTIENGESELLSCHAFT (DE) 1996-05-29 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