SCHEMBL994449

SCHEMBL994449

NC(=O)OCCc1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
PPARA Q07869 9/20 0.55
PPARG P37231 6/20 0.51
PPARD Q03181 4/20 0.51
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TRPA1 O75762 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44

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
Phenylethyl Carbamate SCHEMBL111316 0.84 LMNA (0.79) LMNARAB9AL3MBTL1NPC1TDP1
SCHEMBL114506 0.83 PLAU (0.50) LMNAPPARAPPARGPPARDRAB9A
SCHEMBL114505 0.83 PLAU (0.50) LMNAPPARAPPARGPPARDRAB9A
SCHEMBL28163570 0.81 LMNA (0.50) LMNAPPARARAB9AL3MBTL1NPC1
SCHEMBL14856087 0.81 LMNA (0.64) LMNARAB9AL3MBTL1NPC1TDP1
SCHEMBL30733598 0.80 LMNA (0.46) LMNAPPARAPPARGPPARDRAB9A
SCHEMBL14603427 0.79 PPARA (0.50) PPARAPPARGPPARDRAB9AL3MBTL1
SCHEMBL25447798 0.77 PPARA (0.50) LMNAPPARAPPARGPPARDSMN1; SMN2
Azobenzene SCHEMBL28244550 0.76 ALOX15 (0.56) LMNARAB9AL3MBTL1NPC1TDP1
Carbamic Acid Phenyl Ester SCHEMBL667176 0.76 PPARA (0.46) LMNAPPARAPPARGPPARDRAB9A

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-4121072-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
WO-2021188911-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
EP-3773683-A1 AZIDE INSULIN ANALOGUES Merck Sharp&Dohme Corp. (US) 2021-02-17 EP disclosed
WO-2019199628-A1 AZIDE INSULIN ANALOGUES MERCK SHARP & DOHME CORP. (US) 2019-10-17 WO disclosed
EP-2453908-A2 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF President and Fellows of Harvard College (US) 2012-05-23 EP disclosed
EP-2331525-A2 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF President and Fellows of Harvard College (US) 2011-06-15 EP disclosed
WO-2011008260-A2 BIFUNCTIONAL STAPLED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-20 WO disclosed
WO-2010019210-A2 HALOFUGINONE ANALOGS FOR INHIBITION OF TRNA SYNTHETASES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-02-18 WO disclosed