SCHEMBL2879378

SCHEMBL2879378

Nc1ccc(C(=O)Oc2cccc3c(OC(=O)c4ccc(N)cc4)cccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.60
ESR2 Q92731 8/20 0.60
KMT2A Q03164 7/20 0.60
MEN1 O00255 3/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 2/20 0.60
JAK2 O60674 1/20 0.60
USP2 O75604 1/20 0.60
ALOX15 P16050 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PARP1 P09874 1/20 0.53
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
PRSS1 P07477 3/20 0.45
F2 P00734 2/20 0.45

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
SCHEMBL8001713 0.93 ESR1 (0.54) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL29617334 0.86 KMT2A (0.55) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL14028957 0.86 KMT2A (0.50) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL27660356 0.85 ESR1 (0.57) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL777893 0.83 ESR1 (0.67) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL6442018 0.82 ESR2 (0.47) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL17916646 0.81 ESR1 (0.69) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL13292734 0.81 SMN1; SMN2 (0.58) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL28892176 0.81 PTGDR2 (0.46) ESR1ESR2KMT2AMEN1HSD17B10
SCHEMBL17744887 0.80 PBRM1 (0.50) ESR1ESR2KMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8127655-A None JP disclosed
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
JP-H08127655-A POLYIMIDE COPOLYMER AND ITS PRODUCTION SHIN ETSU CHEM CO LTD 1996-05-21 JP disclosed