Anthraquinone

Anthraquinone

SCHEMBL8501112

O=C1c2ccccc2C(=O)c2ccccc21.S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Mn+2].[Zn+2]

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.52
MAPK1 P28482 2/20 0.52
RECQL P46063 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA1 P00915 7/20 0.49
CA2 P00918 7/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CDC25B P30305 1/20 0.44
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
APAF1 O14727 2/20 0.39
TDP2 O95551 2/20 0.39

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
Zinc Ion SCHEMBL5306094 0.74 THRB (0.93) THRBMAPK1RECQLALDH1A1CYP3A4
Zinc Ion SCHEMBL22430 0.74 THRB (0.93) THRBMAPK1RECQLALDH1A1CYP3A4
Zinc Ion SCHEMBL4181998 0.74 THRB (0.93) THRBMAPK1RECQLALDH1A1CYP3A4
Folpet SCHEMBL10548352 0.73 CA12 (0.38) THRBMAPK1RECQLALDH1A1CYP3A4
Ammonia Solution, Strong SCHEMBL27526859 0.72 THRB (0.88) THRBMAPK1RECQLALDH1A1CYP3A4
SCHEMBL20721 0.72 THRB (0.87) THRBMAPK1RECQLALDH1A1CYP3A4
Zinc Ion SCHEMBL8406612 0.72 THRB (1.00) THRBMAPK1RECQLALDH1A1CYP3A4
Zinc Ion SCHEMBL21691 0.72 THRB (1.00) THRBMAPK1RECQLALDH1A1CYP3A4
SCHEMBL3674278 0.72 THRB (0.87) THRBMAPK1RECQLALDH1A1CYP3A4
Water SCHEMBL9862691 0.70 THRB (0.81) THRBMAPK1RECQLALDH1A1CYP3A4

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
EP-0491915-B1 GEL FORMULATIONS FOR HAZARDOUS PRODUCTS RHONE POULENC AGROCHIMIE (FR) 1999-09-22 EP disclosed