SCHEMBL5173448

SCHEMBL5173448

CC(=O)c1cccc(C=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
TDP1 Q9NUW8 2/20 0.39
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
G6PD P11413 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CA12 O43570 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
SCHEMBL1484113 0.84 LMNA (0.52) ERN1TLR2TLR1TLR6TDP1
SCHEMBL20616689 0.83 G6PD (0.36) THRBLMNAKMT2ACA1CA2
SCHEMBL25273832 0.82 G6PD (0.57) ERN1TDP1THRBMEN1LMNA
SCHEMBL27504839 0.82 ALDH1A1 (0.42) ERN1TDP1THRBMEN1LMNA
Benzene SCHEMBL28952313 0.82 LMNA (0.50) ERN1TLR2TLR1TLR6TDP1
SCHEMBL10415655 0.82 LMNA (0.50) ERN1TLR2TLR1TLR6TDP1
SCHEMBL10414731 0.82 LMNA (0.50) ERN1TLR2TLR1TLR6TDP1
SCHEMBL3498784 0.81 G6PD (0.46) THRBLMNAKMT2ACA1CA2
Ammonia Solution, Strong SCHEMBL27817253 0.81 G6PD (0.55) ERN1TDP1THRBMEN1LMNA
SCHEMBL6420788 0.80 ALDH1A1 (0.53) ERN1TLR2TLR1TLR6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104962278-B Palladium ion fluorescent probe, and preparation method and applications thereof 华东理工大学 2017-01-11 CN disclosed
EP-1060263-B1 METHOD AND COMPOSITIONS FOR DETECTING LUCIFERASE IN BIOLOGICAL SAMPLES PACKARD INSTRUMENT CO INC (US) 2007-05-23 EP disclosed
EP-1060263-A4 METHOD AND COMPOSITIONS FOR DETECTING LUCIFERASE IN BIOLOGICAL SAMPLES PACKARD INSTRUMENT CO INC (US) 2005-07-20 EP disclosed
US-6171809-B1 DETECTING PRESENCE OF BOTH FIREFLY AND RENILLA LUCIFERASE BY FIRST ADDING MIXTURE TO MEASURE FIREFLY ENZYME THEN RENILLA ENZYME; INCLUDES COMPOUNDS SELECTED TO PRODUCE AN EXTENDED GLOW RATHER THAN FLASH LUMINESCENCE PACKARD INSTRUMENT COMPANY 2001-01-09 US disclosed
EP-1060263-A1 METHOD AND COMPOSITIONS FOR DETECTING LUCIFERASE IN BIOLOGICAL SAMPLES Packard Instrument Company, Inc. (US) 2000-12-20 EP disclosed
WO-1999038999-A1 METHOD AND COMPOSITIONS FOR DETECTING LUCIFERASE IN BIOLOGICAL SAMPLES PACKARD INSTRUMENT COMPANY, INC. (US) 1999-08-05 WO disclosed
US-4670421-A ANTICHOLESTEROL AGENTS AMERICAN CYANAMID COMPANY (US) 1987-06-02 US disclosed
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed
US-3956113-A REACTION PRODUCT OF CYANIDE, POSITIVE HALOGEN, AND POLYHYDROXY COMPOUNDS MAX BRENNER, 33 SPIEGELBERGSTRASSE CH-4059 BASLES, (CH) 1976-05-11 US disclosed