SCHEMBL849411

SCHEMBL849411

O=C1c2c([N+](=O)[O-])cc(Br)c(O)c2C(=O)c2c(O)c(Br)cc([N+](=O)[O-])c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
S100A4 P26447 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
GPR35 Q9HC97 5/20 0.41
ERN1 O75460 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30195179 1.00 HPGD (0.50) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL28592683 1.00 HPGD (0.50) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL848686 0.89 TSHR (0.71) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL11753725 0.89 TSHR (0.71) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL29718898 0.82 HPGD (0.55) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL2139648 0.82 HPGD (0.55) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL848687 0.79 CYP3A4 (0.43) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL848253 0.78 GPR35 (0.53) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL30859106 0.78 ALDH1A1 (0.55) HPGDHIF1ATP53CYP3A4TSHR
SCHEMBL29261742 0.78 ALDH1A1 (0.55) HPGDHIF1ATP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US disclosed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US disclosed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US disclosed
WO-2008025733-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-03-06 WO disclosed