SCHEMBL47843

SCHEMBL47843

Cc1ccc([N+](=O)[O-])c(OC(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 2/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 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
SCHEMBL47845 1.00 TSHR (0.46) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL47796 0.78 IMPDH2 (0.45) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL47795 0.78 IMPDH2 (0.45) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL983663 0.78 PTPN1 (0.42) TSHRSMN1; SMN2TDP1L3MBTL1KMT2A
SCHEMBL14523078 0.76 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1L3MBTL1KMT2A
SCHEMBL3824611 0.74 TDP1 (0.64) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL2257980 0.74 TDP1 (0.64) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL11190279 0.73 TSHR (0.58) TSHRSMN1; SMN2L3MBTL1CES2CES1
SCHEMBL7390984 0.73 TSHR (0.44) TSHRSMN1; SMN2TDP1L3MBTL1CES2
SCHEMBL27548059 0.73 TSHR (0.54) TSHRTDP1L3MBTL1MAPK1HSD17B10

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