SCHEMBL5827543

SCHEMBL5827543

Cc1ccncc1C(=O)OC1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT3 Q9NTG7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC28A3 Q9HAS3 2/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ LGALS3 P17931 2/20 0.41
▸ LGALS9 O00182 1/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LGALS4 P56470 1/20 0.39
▸ CA12 O43570 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL29278300 0.82 LGALS3 (0.51) SLC28A3SLC5A2LGALS3LGALS9LGALS1
SCHEMBL6739168 0.82 LGALS3 (0.51) SLC28A3SLC5A2LGALS3LGALS9LGALS1
Hydrochloric Acid SCHEMBL28792398 0.81 LGALS3 (0.50) SLC28A3SLC5A2LGALS3LGALS9LGALS1
SCHEMBL19717962 0.79 LGALS9 (0.46) SLC28A3LGALS3LGALS9LGALS1LGALS7; LGALS7B
Ribose (Furanose) SCHEMBL5827542 0.79 TDP1 (0.44) SIRT3TDP1SLC5A2MEN1KMT2A
SCHEMBL25333021 0.78 ALDH1A1 (0.46) TDP1SLC28A3LGALS3LGALS9LGALS1
SCHEMBL21828727 0.78 ALDH1A1 (0.46) TDP1SLC28A3LGALS3LGALS9LGALS1
SCHEMBL29993128 0.78 ALDH1A1 (0.46) TDP1SLC28A3LGALS3LGALS9LGALS1
SCHEMBL25387949 0.78 ALDH1A1 (0.46) TDP1SLC28A3LGALS3LGALS9LGALS1
SCHEMBL502585 0.78 ALDH1A1 (0.46) TDP1SLC28A3LGALS3LGALS9LGALS1

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
EP-0638123-B1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER REC TECH LTD (GB) 2006-12-27 — — EP disclosed
US-5977065-A FROM A PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-02 — — US disclosed
US-5780585-A Bacterial nitroreductase for the reduction of CB 1954 and analogues thereof to a cytotoxic form CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-07-14 — — US disclosed
US-5633158-A CULTURE PRODUCT; GENETIC ENGINEERING CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-05-27 — — US disclosed
EP-0638123-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-15 — — EP disclosed
EP-0540263-A1 Bacterial nitroreductase for the reduction of CB 1954 and analogues thereof to a cytotoxic form CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-05-05 — — EP disclosed
WO-1993008288-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-04-29 — — WO disclosed
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