SCHEMBL6676551

SCHEMBL6676551

NC(=S)NN=Cc1ncccc1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RRM2 P31350 4/20 0.73
▸ RRM1 P23921 1/20 0.73
▸ RRM2B Q7LG56 1/20 0.73
▸ CISD1 Q9NZ45 1/20 0.73
▸ NCOA3 Q9Y6Q9 3/20 0.68
▸ NCOA1 Q15788 2/20 0.68
▸ KDM4E B2RXH2 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ MPI P34949 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CTH P32929 2/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL6676547 1.00 RRM2 (0.73) RRM2RRM1RRM2BCISD1NCOA3
Triapine SCHEMBL31238438 0.84 RRM2 (1.00) RRM2RRM1RRM2BCISD1NCOA3
Triapine SCHEMBL29365763 0.84 RRM2 (1.00) RRM2RRM1RRM2BCISD1NCOA3
Triapine SCHEMBL29371 0.84 RRM2 (1.00) RRM2RRM1RRM2BCISD1NCOA3
Triapine SCHEMBL29370 0.84 RRM2 (1.00) RRM2RRM1RRM2BCISD1NCOA3
Triapine SCHEMBL29362841 0.84 RRM2 (1.00) RRM2RRM1RRM2BCISD1NCOA3
SCHEMBL9267384 0.84 RRM2 (0.52) RRM2RRM1RRM2BCISD1NCOA3
SCHEMBL9289701 0.84 RRM2 (0.52) RRM2RRM1RRM2BCISD1NCOA3
SCHEMBL1904117 0.77 RRM2 (0.70) RRM2RRM1RRM2BCISD1NCOA3
SCHEMBL8684404 0.76 RRM2 (0.57) RRM2RRM1RRM2BCISD1NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089208-A2 SULFONAMIDE, SULFAMATE AND SULFAMIDE DERIVATIVES OF ANTI-CANCER AGENTS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2016-06-09 — — WO claimed
WO-2016089208-A2 SULFONAMIDE, SULFAMATE AND SULFAMIDE DERIVATIVES OF ANTI-CANCER AGENTS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2016-06-09 — — WO disclosed
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 — — WO disclosed
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 — — 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
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 — — US disclosed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 — — EP disclosed
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