SCHEMBL2953876

SCHEMBL2953876

O=C1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.76
CYP1A2 P05177 3/20 0.76
HIF1A Q16665 3/20 0.76
HSD17B10 Q99714 2/20 0.76
TP53 P04637 2/20 0.76
ALDH1A1 P00352 1/20 0.76
CYP2D6 P10635 1/20 0.76
CYP2C9 P11712 1/20 0.76
MAPK1 P28482 1/20 0.76
CYP2C19 P33261 1/20 0.76
STAT6 P42226 1/20 0.76
PHLPP2 Q6ZVD8 1/20 0.76
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIK1 P39086 1/20 0.48
GRIA1 P42261 1/20 0.48

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
SCHEMBL8738471 0.87 ALDH1A1 (1.00) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL25485875 0.86 ALDH1A1 (0.92) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL10339388 0.84 ALDH1A1 (0.58) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL9354434 0.84 ALDH1A1 (0.58) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL9334017 0.84 ALDH1A1 (0.58) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL9623526 0.84 PTPRC (0.75) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL30375576 0.84 PTPRC (0.75) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL3207925 0.78 HKDC1 (0.55) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL11246306 0.77 ALDH1A1 (0.55) CYP3A4CYP1A2HIF1AHSD17B10TP53
SCHEMBL8688932 0.76 TSHR (0.55) CYP3A4CYP1A2HIF1AHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758755-B2 Water treatment by dendrimer-enhanced filtration CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-07-20 US disclosed
US-20090223896-A1 WATER TREATMENT BY DENDRIMER-ENHANCED FILTRATION NATIONAL SCIENCE FOUNDATION 2009-09-10 US disclosed
US-7470369-B2 Water treatment by dendrimer enhanced filtration CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-12-30 US disclosed
EP-1771384-A2 WATER TREATMENT BY DENDRIMER-ENHANCED FILTRATION California Institute of Technology (US) 2007-04-11 EP disclosed
WO-2006096199-A2 WATER TREATMENT BY DENDRIMER-ENHANCED FILTRATION CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-09-14 WO disclosed
US-20060021938-A1 Water treatment by dendrimer enhanced filtration CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-02-02 US disclosed