SCHEMBL5827236

SCHEMBL5827236

[O]Cc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
HTR7 P34969 1/20 0.47
SCN2A Q99250 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
AR P10275 1/20 0.43
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
APP P05067 1/20 0.43
MAPT P10636 1/20 0.43
PTPRC P08575 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL29141195 0.86 POLB (0.49) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL9194437 0.84 DPP4 (0.58) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL6438986 0.81 HTR7 (0.43) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL28240316 0.81 ALDH1A1 (0.58) ALDH1A1LMNAHTR7SCN2APOLB
Water SCHEMBL10695746 0.79 HTR7 (0.42) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL11994149 0.79 MAPT (0.44) ALDH1A1LMNAHTR7ARTDP1
SCHEMBL4654640 0.78 ALDH1A1 (0.50) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL19616161 0.78 PTGDR2 (0.46) HTR7POLBMAPK1ARCES1
SCHEMBL29074270 0.78 CYP19A1 (0.45) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL5827345 0.78 CYP19A1 (0.45) ALDH1A1LMNAHTR7SCN2APOLB

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