SCHEMBL5827237

SCHEMBL5827237

[O]C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MEN1 O00255 3/20 0.52
CRHBP P24387 1/20 0.52
ATM Q13315 1/20 0.52
CRHR2 Q13324 1/20 0.52
TLR9 Q9NR96 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL18138449 0.91 ALDH1A1 (0.53) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL11795354 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL7521622 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL5663512 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL3695529 0.85 ALDH1A1 (0.62) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL19334711 0.83 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL2601112 0.83 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL3258821 0.82 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL1813716 0.82 CA12 (0.58) ALDH1A1LMNAKMT2AL3MBTL1MEN1
SCHEMBL6796824 0.82 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AL3MBTL1MEN1

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