SCHEMBL20514936

SCHEMBL20514936

Cn1cc(NC(=O)c2cccc(NC(=O)Nc3cccc(C(=O)Nc4cc(C(=O)Nc5ccc6c(S(=O)(=O)O)cccc6c5S(=O)(=O)O)n(C)c4)c3)c2)cc1C(=O)Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O.[NaH].[NaH]

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 12/20 0.77
RECQL P46063 5/20 0.51
KMT2A Q03164 5/20 0.51
HSD17B10 Q99714 5/20 0.51
TDP1 Q9NUW8 5/20 0.51
TIMP3 P35625 4/20 0.51
MAPT P10636 4/20 0.51
PKM P14618 4/20 0.51
MEN1 O00255 3/20 0.51
P2RX1 P51575 3/20 0.51
P2RX3 P56373 3/20 0.51
USP2 O75604 2/20 0.51
BRCA1 P38398 2/20 0.51
SIRT2 Q8IXJ6 2/20 0.51
SIRT1 Q96EB6 2/20 0.51
ENPP3 O14638 1/20 0.51
ENTPD3 O75355 1/20 0.51
NR1I2 O75469 1/20 0.51
PRKD3 O94806 1/20 0.51
TDP2 O95551 1/20 0.51

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
SCHEMBL20514953 1.00 HPSE (0.77) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20514967 0.99 HPSE (0.78) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20514938 0.93 HPSE (0.91) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20514982 0.91 HPSE (0.79) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL8332931 0.90 HPSE (0.66) HPSERECQLKMT2AHSD17B10TDP1
Hydrochloric Acid SCHEMBL20514949 0.89 HPSE (0.61) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20514915 0.88 HPSE (0.78) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL11765219 0.88 TIMP3 (0.62) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20515038 0.88 HPSE (0.79) HPSERECQLKMT2AHSD17B10TDP1
SCHEMBL20521771 0.87 HPSE (0.64) HPSERECQLKMT2AHSD17B10TDP1

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-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 claimed
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
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
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