SCHEMBL20514928

SCHEMBL20514928

Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.66
AURKA O14965 1/20 0.53
AURKB Q96GD4 1/20 0.53
CYP1A2 P05177 2/20 0.44
SENP2 Q9HC62 5/20 0.42
SUMO2 P61956 4/20 0.42
SUMO1 P63165 4/20 0.42
SENP7 Q9BQF6 4/20 0.42
ATIC P31939 2/20 0.42
CDK2 P24941 1/20 0.41
NSD2 O96028 4/20 0.38
SENP1 Q9P0U3 4/20 0.37
NR4A1 P22736 1/20 0.36
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
IDE P14735 1/20 0.36
DUSP3 P51452 1/20 0.36
CCR6 P51684 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
SCHEMBL7052180 1.00 TTR (0.66) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL313372 0.98 TTR (0.68) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL30322685 0.98 TTR (0.68) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL9274363 0.97 TTR (0.66) TTRAURKAAURKBCYP1A2SENP2
Nitrogen SCHEMBL27709748 0.95 TTR (0.64) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL9056262 0.88 TTR (0.55) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL8497445 0.87 TTR (0.53) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL8968585 0.85 TTR (0.51) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL9274353 0.85 TTR (0.60) TTRAURKAAURKBCYP1A2SENP2
SCHEMBL10900215 0.84 TTR (0.61) TTRAURKAAURKBSENP2SUMO2

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
WO-2018177863-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL) CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER LEADIANT BIOSCIENCES SA IN LIQUIDAZIONE (CH) 2018-10-04 WO disclosed
EP-3381897-A1 DERIVATIVES OF THE DISODIUM 2,2'-{CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO]}DINAPHTHALENE-1,5-DISULFONATE SALT AND RELATED COMPOUNDS AS HEPARANASE INHIBITORS FOR THE TREATMENT OF CANCER Leadiant Biosciences SA (CH) 2018-10-03 EP disclosed
CN-105612146-A Arylsulfonic acid compound, use thereof, and method for producing arylsulfonic acid compound NISSAN CHEMICAL IND LTD 2016-05-25 CN disclosed