SCHEMBL9568545

SCHEMBL9568545

O=S(=O)(O)c1ccc2c3ccc(S(=O)(=O)O)c4cccc(c5cccc1c52)c43.[NaH].[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.58
AURKA O14965 1/20 0.58
TTR P02766 2/20 0.52
CYP1A2 P05177 3/20 0.47
COMT P21964 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SNCA P37840 2/20 0.39
CHAT P28329 1/20 0.39
CTRB1 P17538 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
NR4A1 P22736 1/20 0.39
ATIC P31939 3/20 0.37
CDC7 O00311 1/20 0.36
EEF2K O00418 1/20 0.36

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
SCHEMBL9568585 1.00 AURKB (0.58) AURKBAURKATTRCYP1A2COMT
SCHEMBL9568598 0.96 AURKB (0.58) AURKBAURKATTRCYP1A2COMT
SCHEMBL9568549 0.96 AURKB (0.58) AURKBAURKATTRCYP1A2COMT
SCHEMBL30167073 0.90 AURKA (0.53) AURKBAURKATTRCYP1A2COMT
SCHEMBL8150051 0.90 AURKA (0.53) AURKBAURKATTRCYP1A2COMT
Ammonia Solution, Strong SCHEMBL27832685 0.83 AURKA (0.49) AURKBAURKATTRCYP1A2COMT
SCHEMBL592126 0.82 AURKA (0.49) AURKBAURKATTRCYP1A2COMT
SCHEMBL18205264 0.82 AURKA (0.49) AURKBAURKATTRCYP1A2COMT
SCHEMBL10903980 0.82 AURKB (0.72) AURKBAURKATTRCYP1A2COMT
SCHEMBL27783050 0.82 AURKA (0.49) AURKBAURKATTRCYP1A2COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548616-A1 Aqueous chemiluminescent systems AMERICAN CYANAMID COMPANY (US) 1993-06-30 EP disclosed
EP-0034261-B1 AQUEOUS CHEMILUMINESCENT SYSTEMS AMERICAN CYANAMID COMPANY (US) 1985-05-22 EP disclosed
US-4338213-A Aqueous chemiluminescent systems AMERICAN CYANAMID COMPANY (US) 1982-07-06 US disclosed
EP-0034261-A2 Aqueous chemiluminescent systems AMERICAN CYANAMID COMPANY (US) 1981-08-26 EP disclosed
US-4282357-A SALTS OF N,N'-BIS(MORPHOLINO- OR PYRIDYLALKYL)-N,N'-BIS(TRIFLUOROMETHYLSULFONYL)OXAMIDES AMERICAN CYANAMID COMPANY (US) 1981-08-04 US disclosed