SCHEMBL4078013

SCHEMBL4078013

O=[N+]([O-])c1ccccc1[C](c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
CTSD P07339 1/20 0.60
GPR35 Q9HC97 2/20 0.54
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
ALPL P05186 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
SCHEMBL28408395 0.85 ALDH1A1 (0.63) ALDH1A1CTSDHSD17B10CYP1A2CYP3A4
SCHEMBL334763 0.85 ALDH1A1 (0.63) ALDH1A1CTSDHSD17B10CYP1A2CYP3A4
SCHEMBL29556511 0.85 ALDH1A1 (0.63) ALDH1A1CTSDHSD17B10CYP1A2CYP3A4
SCHEMBL10613860 0.84 ALDH1A1 (0.68) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL975117 0.84 ALDH1A1 (0.68) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL29696138 0.82 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL8592467 0.82 ALDH1A1 (0.60) ALDH1A1CTSDGPR35HSD17B10CYP1A2
SCHEMBL30727560 0.82 TSHR (0.67) ALDH1A1CTSDCYP1A2CYP3A4CYP2D6
SCHEMBL436389 0.82 ALDH1A1 (0.66) ALDH1A1CTSDGPR35CYP1A2CYP3A4
SCHEMBL1428895 0.82 ALDH1A1 (0.60) ALDH1A1CTSDGPR35HSD17B10CYP1A2

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-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-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-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