SCHEMBL28076384

SCHEMBL28076384

O=C1c2ccccc2C(=O)c2c1c(O)c(Br)c(Br)c2[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
APEX1 P27695 2/20 0.49
POLB P06746 1/20 0.49
CASP6 P55212 1/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 4/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 3/20 0.44
MAOA P21397 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
DAPK1 P53355 3/20 0.44
ACHE P22303 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TTR P02766 2/20 0.44

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
SCHEMBL10626632 0.82 MAPT (0.53) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL10908174 0.80 MAPT (0.54) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11597741 0.78 TTR (0.50) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL9344547 0.77 MAPT (0.55) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11589290 0.76 TTR (0.55) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11747307 0.76 MEN1 (0.55) MAPTAPEX1POLBALDH1A1CYP3A4
SCHEMBL28076387 0.75 ALDH1A1 (0.55) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL919023 0.74 ALDH1A1 (0.57) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL9344552 0.74 ALDH1A1 (0.50) MAPTAPEX1POLBCASP6ALDH1A1
SCHEMBL11595237 0.74 TTR (0.56) MAPTAPEX1POLBCASP6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753712-A Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone 常州大学 2016-07-13 CN claimed
CN-105753712-A Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone 常州大学 2016-07-13 CN disclosed
CN-105753712-A Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone 常州大学 2016-07-13 CN disclosed
CN-105753712-A Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone 常州大学 2016-07-13 CN disclosed