SCHEMBL2490927

SCHEMBL2490927

O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 1.00
LMNA P02545 6/20 1.00
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
ALDH1A1 P00352 4/20 1.00
TDP1 Q9NUW8 3/20 1.00
NPSR1 Q6W5P4 3/20 1.00
HSP90AA1 P07900 1/20 1.00
HPGD P15428 1/20 1.00
XBP1 P17861 1/20 1.00
RECQL P46063 1/20 1.00
HKDC1 Q2TB90 1/20 1.00
HTT P42858 5/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MAPK1 P28482 1/20 0.65
TXNRD1 Q16881 1/20 0.56
TXNRD3 Q86VQ6 1/20 0.56
TXNRD2 Q9NNW7 1/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56

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
SCHEMBL11343149 0.80 MAPT (0.67) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL3050578 0.75 MMP2 (0.64) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL1032814 0.74 TXNRD1 (1.00) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL28822248 0.73 KMT2A (0.55) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL29405540 0.72 MAPT (0.71) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL137897 0.72 MAPT (0.71) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL6039967 0.72 TXNRD1 (0.74) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL2491367 0.72 MAPT (1.00) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL2490925 0.71 NPC1 (0.67) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL28366757 0.71 DDAH1 (0.59) MAPTLMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed