SCHEMBL11076558

SCHEMBL11076558

O=Nc1c([N+](=O)[O-])cc2c(c1O)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 3/20 0.53
MCL1 Q07820 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
STAT6 P42226 1/20 0.53
HIF1A Q16665 1/20 0.53
PHLPP2 Q6ZVD8 1/20 0.53
MAPT P10636 2/20 0.51
APEX1 P27695 2/20 0.51
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
PGAM1 P18669 10/20 0.50
PKLR P30613 3/20 0.50

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
SCHEMBL5031418 0.87 BCL2 (0.60) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL29543750 0.87 BCL2 (0.60) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL11515022 0.81 ALDH1A1 (0.57) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL11076561 0.78 BCL2 (0.53) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL11048949 0.76 MAPT (0.64) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL29543649 0.75 S100A4 (0.59) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL10905898 0.74 TTR (0.56) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL11424411 0.73 ALDH1A1 (0.62) BCL2MCL1ALDH1A1CYP3A4MAPK1
SCHEMBL25485875 0.73 ALDH1A1 (0.92) BCL2MCL1ALDH1A1CYP3A4MAPK1
Athraquinones A SCHEMBL27843357 0.72 MAPT (0.73) BCL2MCL1ALDH1A1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4424160-A Process for the preparation of 1-hydroxy-4-amino-5(8)-nitroanthraquinone BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed