Benzoquinone

Benzoquinone

SCHEMBL6130614

COC1=C(OC)C(=O)c2ccccc2C1=O.O=C1C=CC(=O)C=C1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.82
ALDH1A1 P00352 9/20 0.82
POLB P06746 8/20 0.82
KDM4E B2RXH2 8/20 0.82
SMN1; SMN2 Q16637 7/20 0.82
LMNA P02545 7/20 0.82
HPGD P15428 6/20 0.82
RAB9A P51151 6/20 0.82
TDP1 Q9NUW8 5/20 0.82
CDC25B P30305 4/20 0.82
CDC25A P30304 3/20 0.82
BLM P54132 2/20 0.82
MAP2K7 O14733 1/20 0.82
GMNN O75496 1/20 0.82
TP53 P04637 1/20 0.82
CYP1A2 P05177 1/20 0.82
CYP3A4 P08684 1/20 0.82
CYP2D6 P10635 1/20 0.82
CYP2C9 P11712 1/20 0.82
ALOX15 P16050 1/20 0.82

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
SCHEMBL571557 0.91 MAPT (1.00) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL29545010 0.91 MAPT (1.00) MAPTALDH1A1POLBKDM4ESMN1; SMN2
Anthraquinone SCHEMBL9174151 0.80 MEN1 (0.75) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL3414838 0.79 CDC25B (1.00) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL30002742 0.79 CDC25B (1.00) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL16138414 0.78 MAPT (0.75) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL10901421 0.78 MAPT (0.75) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL8285443 0.76 MAPT (0.71) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL9562528 0.76 MAPT (0.71) MAPTALDH1A1POLBKDM4ESMN1; SMN2
SCHEMBL1436501 0.76 MAPT (0.71) MAPTALDH1A1POLBKDM4ESMN1; SMN2

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
EP-1450810-A4 XANTHINE OXIDASE INHIBITION UAB RESEARCH FOUNDATION (US) 2005-11-30 EP disclosed
EP-1450810-A2 XANTHINE OXIDASE INHIBITION THE UAB RESEARCH FOUNDATION (US) 2004-09-01 EP disclosed
US-20030158213-A1 Xanthine oxidase inhibition as a strategy to alleviate oxidative impairment of vascular function THE UAB RESEARCH FOUNDATION 2003-08-21 US disclosed
WO-2003043573-A2 XANTHINE OXIDASE INHIBITION THE UAB RESEARCH FOUNDATION (US) 2003-05-30 WO disclosed