SCHEMBL49020

SCHEMBL49020

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 5/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
HPRT1 P00492 1/20 0.42
CTSB P07858 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CASP6 P55212 1/20 0.39
HTT P42858 2/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38

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
SCHEMBL49019 1.00 MAPT (0.49) MAPTALDH1A1HPGDLMNAATM
SCHEMBL49018 0.90 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNAATM
SCHEMBL5734246 0.81 MAPT (0.57) MAPTALDH1A1HPGDLMNAATM
SCHEMBL6179897 0.81 MAPT (0.57) MAPTALDH1A1HPGDLMNAATM
SCHEMBL27544546 0.76 LMNA (0.44) MAPTALDH1A1HPGDLMNAATM
SCHEMBL602067 0.73 MAOB (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL602068 0.73 MAOB (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL47848 0.72 TSHR (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL47847 0.72 TSHR (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL5733678 0.69 MAPK1 (0.46) MAPTALDH1A1HPGDLMNAATM

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