SCHEMBL8727652

SCHEMBL8727652

Clc1cccc(Cl)c1.Nc1ccc(S(=O)(=O)Cl)c2ccccc12.O=S(=O)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
NSD2 O96028 6/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
SENP3 Q9H4L4 3/20 0.38
SENP2 Q9HC62 3/20 0.38
SENP1 Q9P0U3 3/20 0.38
SUMO2 P61956 2/20 0.38
SUMO1 P63165 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLO1 Q04760 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL38143 0.87 TTR (0.50) TTRNSD2AURKAAURKBNR4A2
SCHEMBL28444885 0.85 TTR (0.48) TTRNSD2AURKAAURKBNR4A2
SCHEMBL28977927 0.84 TTR (0.46) TTRNSD2AURKAAURKBSENP3
SCHEMBL28977925 0.83 TTR (0.52) TTRNSD2NR4A2ALDH1A1CYP3A4
SCHEMBL28977921 0.82 TTR (0.46) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL7729945 0.81 CA1 (0.53) TTRNSD2ALDH1A1CYP3A4HPGD
Bicarbonate SCHEMBL28267248 0.80 TTR (0.49) TTRNSD2AURKAAURKBALDH1A1
SCHEMBL8516378 0.79 TTR (0.66) TTRNSD2NR4A2ALDH1A1CYP3A4
SCHEMBL6896171 0.79 ALDH1A1 (0.55) TTRNSD2SENP3SENP2SENP1
3-Aminophenol SCHEMBL28977919 0.78 TDP1 (0.49) TTRNSD2AURKAAURKBSENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed