SCHEMBL6264236

SCHEMBL6264236

Cc1cc(/C=N/NC(N)=S)ncc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RRM2 P31350 8/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 3/20 0.44
G6PD P11413 1/20 0.44
NPC1 O15118 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL6264240 1.00 RRM2 (0.55) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL4380310 0.85 RRM2 (0.55) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL31753303 0.83 RRM2 (0.52) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL4390542 0.83 RRM2 (0.52) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL8683286 0.79 ALDH1A1 (0.51) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL8683501 0.79 RRM2 (0.48) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL8683429 0.78 RRM2 (0.47) RRM2L3MBTL1GAAMEN1KMT2A
SCHEMBL29420113 0.74 RRM2 (0.67) RRM2L3MBTL1GAAKDM4E
SCHEMBL783293 0.74 RRM2 (0.67) RRM2L3MBTL1GAAKDM4E
SCHEMBL30094126 0.74 RRM2 (0.67) RRM2L3MBTL1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988285-B1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2005-11-09 EP disclosed
EP-0984932-A4 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2001-04-04 EP disclosed
EP-0988285-A4 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS INC (US) 2000-08-16 EP disclosed
EP-0988285-A1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP Vion Pharmaceuticals, Inc. (US) 2000-03-29 EP disclosed
EP-0984932-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP Vion Pharmaceuticals, Inc. (US) 2000-03-15 EP disclosed
US-5869676-A Process for the synthesis of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
WO-1998051670-A1 PROCESS FOR THE SYNTHESIS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 WO disclosed
WO-1998051669-A1 PRODRUG FORMS OF RIBONUCLEOTIDE REDUCTASE INHIBITORS 3-AP AND 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-11-19 WO disclosed
US-5767134-A Prodrug forms of ribonucleotide reductase inhibitors 3-AP and 3-AMP VION PHARMACEUTICALS, INC. (US) 1998-06-16 US disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP disclosed