SCHEMBL6273333

SCHEMBL6273333

O=[N+]([O-])c1cccc(Oc2cccc(Oc3cccc([N+](=O)[O-])c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 2/20 0.64
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
LTA4H P09960 1/20 0.55
PTGS2 P35354 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
ACHE P22303 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LPAR3 Q9UBY5 1/20 0.52
HSP90AA1 P07900 1/20 0.52
F2 P00734 1/20 0.51

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
SCHEMBL30043252 1.00 TSHR (0.64) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL4203388 0.98 TSHR (0.67) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL9158141 0.94 ALDH1A1 (0.67) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL9356592 0.94 ALDH1A1 (0.67) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL4456862 0.92 ALDH1A1 (0.60) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL25386626 0.91 NFE2L2 (0.55) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL30334863 0.91 NFE2L2 (0.55) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL9214229 0.90 ALDH1A1 (0.73) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL8775401 0.89 ALDH1A1 (0.61) TSHRLMNAALDH1A1MEN1MAPT
SCHEMBL30042572 0.89 ALDH1A1 (0.61) TSHRLMNAALDH1A1MEN1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005179223-A METHOD FOR ISOLATING 1,3-BIS(3-AMINOPHENOXY)BENZENE AIR WATER CHEMICAL INC 2005-07-07 JP disclosed
JP-2005170895-A METHOD FOR ISOLATING 1,3-BIS(3-NITROPHENOXY)BENZENE AIR WATER CHEMICAL INC 2005-06-30 JP disclosed
JP-2005060333-A METHOD FOR PRODUCTION OF 1,3-BIS(3-AMINOPHENOXY)BENZENE AIR WATER CHEMICAL INC 2005-03-10 JP disclosed
CN-1098248-C Method for preparing 1,3-di-(-3-nitrophenoxy) benzene SHANGHAI CITY SYNTHETIC RESIN (CN) 2003-01-08 CN disclosed
CN-1098248-C Method for preparing 1,3-di-(-3-nitrophenoxy) benzene SHANGHAI CITY SYNTHETIC RESIN (CN) 2003-01-08 CN disclosed
CN-1314339-A Method for preparing 1,3-di-(-3-nitrophenoxy) benzene SHANGHAI CITY SYNTHETIC RESIN (CN) 2001-09-26 CN disclosed
CN-1314339-A Method for preparing 1,3-di-(-3-nitrophenoxy) benzene SHANGHAI CITY SYNTHETIC RESIN (CN) 2001-09-26 CN disclosed
WO-1992012118-A1 PREPARATION OF AROMATIC DIAMINES FROM AMINO PHENOLS OR DIHYDROXYAROMATICS AND BROMOANILINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-23 WO disclosed
US-4692554-A MONOMER FOR POLYAMIDES AND POLYIMIDES, FROM HALOBENZENES AND AMINOPHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1987-09-08 US disclosed