SCHEMBL1038877

SCHEMBL1038877

O=[N+]([O-])c1cccc2s[c]nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
PDE10A Q9Y233 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 4/20 0.42
GPR35 Q9HC97 2/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 4/20 0.41
KDM4E B2RXH2 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL7777578 0.70 PDE10A (0.50) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL666401 0.70 TXNRD1 (0.49) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL10426653 0.69 PDE10A (0.49) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL31122218 0.69 PDE10A (0.49) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL4920165 0.69 ALDH1A1 (0.50) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL558291 0.68 SMN1; SMN2 (0.44) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL558555 0.68 PSMB8 (0.44) PDE10AMEN1KMT2ATDP1ALDH1A1
SCHEMBL2381198 0.68 PSMB8 (0.56) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL4306213 0.68 KDM4E (0.45) TXNRD1TXNRD3TXNRD2PDE10AMEN1
SCHEMBL15880740 0.68 TDP1 (0.48) TXNRD1TXNRD3TXNRD2PDE10AMEN1

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937669-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-02 EP claimed
WO-2007027959-A1 NOVEL BENZOPYRAN DERIVATIVES AS POTASSIUM CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-08 WO claimed
US-20060280894-A1 Metal complexes as light-absorbing compounds in the information layer of optical data carriers LANXESS DEUTSCHLAND GMBH (DE) 2006-12-14 US claimed
US-20060235210-A1 Azo metal dyes and optical data carrier containing one such azo metal dye as a light absorbing compound in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2006-10-19 US claimed
EP-1599548-A1 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS Deutschland GmbH (DE) 2005-11-30 EP claimed
EP-1597321-A1 AZO METAL DYES AND OPTICAL DATA CARRIER CONTAINING ONE SUCH AZO METAL DYE AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER LANXESS Deutschland GmbH (DE) 2005-11-23 EP claimed
WO-2004072184-A1 METAL COMPLEXES AS LIGHT-ABSORBING COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
WO-2004072185-A1 AZO METAL DYES AND OPTICAL DATA CARRIER CONTAINING ONE SUCH AZO METAL DYE AS A LIGHT ABSORBING COMPOUND IN THE INFORMATION LAYER LANXESS DEUTSCHLAND GMBH (DE) 2004-08-26 WO claimed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP claimed
JP-1231031-A None JP disclosed
JP-1200677-A None JP disclosed
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
US-4241166-A UNSATURATED COMPOUND, BINDER, PHOTOINITIATOR; PRINTING PLATES, RESISTS, RELIEF IMAGES HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-23 US disclosed
US-4208517-A Caphalosporin compounds having at position-7 an α-etherified hydroxyiminoarylacetamido group GLAXO OPERATIONS UK LIMITED (GB) 1980-06-17 US disclosed
US-4144392-A Cephalosporins having at position-7 a carboxy substituted α-etherified hydroxyimino-arylacetamido group and at position-3 the residue of a sulphur nucleophile GLAXO LABORATORIES LIMITED (GB) 1979-03-13 US disclosed
US-4103084-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-07-25 US disclosed
US-4007174-A Cephalosporin compounds GLAXO LABORATORIES LIMITED (EN) 1977-02-08 US disclosed
US-3883504-A Water-insoluble carbonylalkylene sulfonamido containing azo dyestuffs HOECHST AG 1975-05-13 US disclosed