SCHEMBL47796

SCHEMBL47796

Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(OC(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.45
TPMT P51580 1/20 0.43
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
LMNA P02545 2/20 0.37
CCR6 P51684 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL47795 1.00 IMPDH2 (0.45) IMPDH2TPMTTSHRTDP1ALDH1A1
SCHEMBL5158001 0.78 ALDH1A1 (0.56) IMPDH2TPMTTSHRTDP1ALDH1A1
SCHEMBL47843 0.78 TSHR (0.46) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL47845 0.78 TSHR (0.46) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL11125491 0.77 CA1 (0.51) TSHRTDP1ALDH1A1CYP1A2GPR35
SCHEMBL3605999 0.75 CYP1A2 (0.46) IMPDH2TSHRTDP1ALDH1A1CYP1A2
SCHEMBL25786786 0.74 CYP1A2 (0.56) TSHRTDP1ALDH1A1CYP1A2GPR35
SCHEMBL11760497 0.73 TDP1 (0.51) TPMTTSHRTDP1CYP1A2GPR35
SCHEMBL11758012 0.72 TDP1 (0.55) TPMTTSHRTDP1CYP1A2GPR35
SCHEMBL10977680 0.70 KMT2A (0.57) TPMTTSHRTDP1ALDH1A1CYP1A2

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