SCHEMBL28045820

SCHEMBL28045820

Nc1cc(S(=O)(=O)O)c(S(=O)(=O)O)cc1S(=O)(=O)O.Nc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
KEAP1 Q14145 1/20 0.55
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
SENP2 Q9HC62 4/20 0.42
SENP1 Q9P0U3 4/20 0.42
SENP3 Q9H4L4 3/20 0.42
SUMO2 P61956 2/20 0.42
SUMO1 P63165 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
ATIC P31939 2/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8911808 0.85 TTR (0.68) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL6051270 0.83 TTR (0.59) TTRALDH1A1HSD17B10CYP3A4HPGD
Sulfuric Acid SCHEMBL9839826 0.82 ALDH1A1 (0.74) TTRALDH1A1HSD17B10CYP3A4HPGD
Sulfuric Acid SCHEMBL655500 0.82 ALDH1A1 (0.74) TTRALDH1A1HSD17B10CYP3A4HPGD
Sulfuric Acid SCHEMBL29379869 0.82 ALDH1A1 (0.74) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL28065855 0.81 TTR (0.61) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL11407768 0.79 ALDH1A1 (0.68) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL7711493 0.79 TTR (0.52) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL28734904 0.78 ALDH1A1 (0.61) TTRALDH1A1HSD17B10CYP3A4HPGD
SCHEMBL157169 0.78 ALDH1A1 (0.62) TTRALDH1A1HSD17B10CYP3A4HPGD

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
CN-105523674-A Treatment method for 1-amino-8-naphthol-3,6-disulfonic acid monosodium salt production wastewater and equipment for implementing method JIANGSU MINGSHENG CHEMICAL CO LTD 2016-04-27 CN disclosed