Benzoquinone

Benzoquinone

SCHEMBL4176250

O=C1C=CC(=O)C=C1.O=S(=O)(O)c1ccc2c(ccc3ccccc32)c1S(=O)(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.44
CTRB1 P17538 1/20 0.43
PAX8 Q06710 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
MPL P40238 2/20 0.40
CTRC Q99895 2/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL2521757 0.92 HPRT1 (0.52) HPRT1CTRB1PAX8ALDH1A1CYP1A2
SCHEMBL11928208 0.92 HPRT1 (0.52) HPRT1CTRB1PAX8ALDH1A1CYP1A2
SCHEMBL41541 0.83 CYP2D6 (0.53) HPRT1CTRB1ALDH1A1CYP1A2CYP2D6
SCHEMBL8835967 0.81 CYP2D6 (0.51) CTRB1ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL3233255 0.81 CYP2D6 (0.51) CTRB1ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL4578484 0.81 CYP2D6 (0.51) CTRB1ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL3233245 0.81 CYP2D6 (0.51) HPRT1CTRB1ALDH1A1CYP1A2CYP2D6
SCHEMBL4897459 0.81 CYP2D6 (0.51) CTRB1ALDH1A1CYP1A2CYP2D6HIF1A
SCHEMBL4314625 0.81 CYP2D6 (0.51) HPRT1CTRB1ALDH1A1CYP1A2CYP2D6
Water SCHEMBL669870 0.81 CYP2D6 (0.51) HPRT1CTRB1ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090104417-A1 Magenta Dyes and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-04-23 US disclosed
WO-2006125951-A2 MAGENTA DYES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2006-11-30 WO disclosed