SCHEMBL4092998

SCHEMBL4092998

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.74
CES1 P23141 1/20 0.74
TP53 P04637 1/20 0.71
ALDH1A1 P00352 6/20 0.69
TSHR P16473 5/20 0.69
LMNA P02545 1/20 0.67
PRSS1 P07477 1/20 0.65
PRSS2 P07478 1/20 0.65
PRSS3 P35030 1/20 0.65
ALOX15 P16050 1/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
RXFP1 Q9HBX9 1/20 0.56
ACHE P22303 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL905738 0.86 CES2 (0.72) CES2CES1TP53ALDH1A1TSHR
SCHEMBL31374765 0.85 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2156825 0.85 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL181572 0.85 CES2 (0.78) CES2CES1TP53ALDH1A1TSHR
SCHEMBL6982853 0.85 TP53 (0.58) CES2CES1TP53ALDH1A1TSHR
SCHEMBL29490968 0.83 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8962468 0.83 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL7645485 0.83 ALDH1A1 (0.76) CES2CES1TP53ALDH1A1TSHR
SCHEMBL14880709 0.83 CES2 (0.69) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2170995 0.83 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR

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-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-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-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