Benzoquinone

Benzoquinone

SCHEMBL9225792

Nc1cccc2cccc(N)c12.O=C1C=CC(=O)C=C1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.53
RPS6KA3 P51812 1/20 0.53
MELK Q14680 1/20 0.53
STK24 Q9Y6E0 1/20 0.53
TYMS P04818 3/20 0.44
ALDH1A1 P00352 9/20 0.42
CYP3A4 P08684 6/20 0.41
HSD17B10 Q99714 5/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 3/20 0.41
BCHE P06276 2/20 0.41
KEAP1 Q14145 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL29349435 0.84 JAK2 (0.54) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL65699 0.84 JAK2 (0.54) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL28276823 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
Fluoride SCHEMBL11274176 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL28313238 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
Hydrochloric Acid SCHEMBL11277860 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
Hydrochloric Acid SCHEMBL11698588 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL9627127 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
Ammonia Solution, Strong SCHEMBL2638226 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS
SCHEMBL28296931 0.82 JAK2 (0.52) JAK2RPS6KA3MELKSTK24TYMS

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-5457170-A Coating interior wall of vessel used for addition polymerization SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-10-10 US disclosed
US-5424003-A Preventive coatings for equipment and reactors used for addition polymerization of unsaturated compounds; antideposit agents; amino resins SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-13 US disclosed