SCHEMBL4093002

SCHEMBL4093002

O=[N+]([O-])c1cccc(C(c2cccc([N+](=O)[O-])c2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 2/20 0.67
ACP3 P15309 1/20 0.57
ALDH1A1 P00352 4/20 0.55
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX15 P16050 1/20 0.55
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.50

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
SCHEMBL6556688 0.83 MAPT (0.71) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2121190 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL254876 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2014611 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL2023789 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL384083 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL3642758 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL11432821 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL8062516 0.83 TSHR (0.61) TSHRLMNAACP3ALDH1A1ACHE
SCHEMBL9026172 0.82 TSHR (0.59) TSHRLMNAACP3ALDH1A1ACHE

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
EP-2048168-A2 Process for producing catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048167-A2 First catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048170-A2 Second catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
EP-2048169-A2 Third catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer Sumitomo Chemical Company, Limited (JP) 2009-04-15 EP disclosed
US-6914108-B2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-05 US disclosed
US-20030203810-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED 2003-10-30 US disclosed
US-6586356-B2 Coordination catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-20010020075-A1 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-09-06 US disclosed
EP-1113026-A2 Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-04 EP disclosed