SCHEMBL49018

SCHEMBL49018

O=C(OCc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12)OCc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 2/20 0.47
CTSB P07858 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 4/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPRT1 P00492 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
HTT P42858 2/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL49020 0.90 MAPT (0.49) ALDH1A1MAPTHPGDCTSBTDP1
SCHEMBL49019 0.90 MAPT (0.49) ALDH1A1MAPTHPGDCTSBTDP1
SCHEMBL6179897 0.80 MAPT (0.57) ALDH1A1MAPTHPGDCTSBTDP1
SCHEMBL5734246 0.80 MAPT (0.57) ALDH1A1MAPTHPGDCTSBTDP1
SCHEMBL27544546 0.77 LMNA (0.44) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL286962 0.72 MAOB (0.56) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL47846 0.72 TSHR (0.43) ALDH1A1MAPTHPGDLMNAATM
SCHEMBL7788656 0.70 TDP1 (0.80) ALDH1A1MAPTCTSBTDP1LMNA
SCHEMBL18992069 0.70 MAPT (0.44) ALDH1A1MAPTHPGDCTSBTDP1
SCHEMBL29401731 0.70 CASP6 (0.62) ALDH1A1MAPTHPGDCTSBTDP1

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
EP-2149586-B1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8128782-B2 Amine epoxy resin curing agent, gas barrier epoxy resin composition comprising the curing agent, coating agent, and adhesive agent for laminate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-03-06 US disclosed
US-20100160494-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 2010-06-24 US disclosed
EP-2149586-A1 AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE Mitsubishi Gas Chemical Company, Inc. (JP) 2010-02-03 EP disclosed