SCHEMBL2885963

SCHEMBL2885963

O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)cccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.63
PTGES O14684 1/20 0.63
TYMS P04818 1/20 0.63
KMT2A Q03164 3/20 0.55
PKM P14618 1/20 0.55
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.54
JAK2 O60674 1/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CES1 P23141 2/20 0.50
HGFAC Q04756 1/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL27680496 0.90 TYMS (0.55) ALOX5PTGESTYMSKMT2APKM
SCHEMBL26938861 0.83 TYMS (0.63) ALOX5PTGESTYMSKMT2APKM
SCHEMBL10689859 0.83 MAPT (0.58) ALOX5PTGESTYMSKMT2APKM
SCHEMBL11117550 0.83 KMT2A (0.57) ALOX5PTGESTYMSKMT2APKM
SCHEMBL19475609 0.81 KMT2A (0.68) ALOX5PTGESTYMSKMT2APKM
SCHEMBL30305563 0.80 KMT2A (0.59) TYMSKMT2APKMMAPTGAA
SCHEMBL18325183 0.79 MAPT (0.67) ALOX5KMT2APKMMAPTGAA
SCHEMBL9156958 0.78 NR1H4 (0.53) ALOX5PTGESTYMSKMT2APKM
SCHEMBL9316017 0.78 KMT2A (0.49) ALOX5PTGESTYMSKMT2APKM
SCHEMBL27916403 0.78 ALOX5 (1.00) ALOX5PTGESKMT2AMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020232597-A1 DIAMINE COMPOUND, PREPARATION METHOD THEREFOR, THERMOSETTING RESIN COMPOSITION, AND APPLICATION 广东生益科技股份有限公司 (CN) 2020-11-26 WO disclosed
EP-1753825-B1 POLYMERIZABLE DICHROMOPHORIC DICHROIC AZO DYES ROLIC AG (CH) 2015-10-14 EP disclosed
EP-1753825-B1 POLYMERIZABLE DICHROMOPHORIC DICHROIC AZO DYES ROLIC AG (CH) 2015-10-14 EP disclosed
US-7811642-B2 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2010-10-12 US disclosed
US-7811642-B2 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2010-10-12 US disclosed
US-7811642-B2 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2010-10-12 US disclosed
US-20080001120-A1 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2008-01-03 US disclosed
US-20080001120-A1 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2008-01-03 US disclosed
US-20080001120-A1 sufficient solubility, high coloring power, high order parameter; mesogenic mixtures; polarizer, optical filter, orientation layer, security device; acrylic ester, vinyl ester, vinyl ether, or epoxy polymerizable end groups; ROLIC AG (CH) 2008-01-03 US disclosed
EP-1753825-A1 POLYMERIZABLE DICHROMOPHORIC DICHROIC AZO DYES Rolic AG (CH) 2007-02-21 EP disclosed
WO-2005105932-A1 POLYMERIZABLE DICHROMOPHORIC DICHROIC AZO DYES ROLIC AG (CH) 2005-11-10 WO disclosed
EP-1593713-A1 Polymerizable dichromophoric dichroic azo dyes Rolic AG (CH) 2005-11-09 EP disclosed