SCHEMBL5827345

SCHEMBL5827345

O=[C]OCc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
HTR7 P34969 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
SCN2A Q99250 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
AR P10275 1/20 0.39
IDO1 P14902 2/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 2/20 0.38
SLC29A1 Q99808 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IKBKB O14920 1/20 0.37

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
SCHEMBL2471357 0.81 DPP4 (0.48) HTR7
SCHEMBL29074270 0.79 CYP19A1 (0.45) CYP19A1HTR7PTGDR2ALDH1A1LMNA
SCHEMBL19616161 0.79 PTGDR2 (0.46) CYP19A1HTR7PTGDR2POLBMAPK1
SCHEMBL5827236 0.78 ALDH1A1 (0.47) CYP19A1HTR7ALDH1A1LMNASCN2A
SCHEMBL29141195 0.78 POLB (0.49) HTR7ALDH1A1LMNASCN2APOLB
SCHEMBL9574293 0.77 PTGDR2 (0.44) CYP19A1HTR7PTGDR2LMNAPOLB
SCHEMBL9194437 0.76 DPP4 (0.58) HTR7ALDH1A1LMNASCN2APOLB
SCHEMBL9260 0.74 ALDH1A1 (0.55) ALDH1A1MAPK1MAOBHTTMAPT
SCHEMBL1211 0.74 IDO1 (0.61) ALDH1A1POLBIDO1MAOBMAPT
SCHEMBL6438986 0.74 HTR7 (0.43) CYP19A1HTR7ALDH1A1LMNASCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977065-A FROM A PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-02 US claimed
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
EP-0725826-B1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RES CAMPAIGN TECH (GB) 2005-01-26 EP disclosed
US-5977065-A FROM A PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-02 US disclosed
US-5958682-A VIRUS-DIRECTED ENZYME PRODRUG THERAPY FOR TREATING TUMOR CELLS CONSISTING OF A VIRAL VECTOR ENCODING BACTERIAL NITROREDUCTASE CAPABLE OF CONVERTING A PRODRUG INTO A CYTOTOXIC DRUG OPERABLY LINKED TO A PROMOTER; AND THE PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-28 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-5770731-A PROTECTING GROUPS, ANTIBODY DIRECTED ENZYME/PRODRUG THERAPY, ANTICARCINOGENIC AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-23 US disclosed
US-5728868-A Prodrugs of protein tyrosine kinase inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-17 US disclosed
US-5633158-A CULTURE PRODUCT; GENETIC ENGINEERING CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1997-05-27 US disclosed
EP-0725826-A1 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-08-14 EP disclosed
WO-1996014420-A1 INDUCIBLE CELL ABLATION CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-17 WO disclosed
EP-0711177-A1 IMPROVEMENTS RELATING TO PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-15 EP disclosed
EP-0708660-A1 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1996-05-01 EP disclosed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO 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
WO-1995003830-A2 PRODRUGS OF FARNESYL TRANSFERASE INHIBITORS FOR ADEPT OR VDEPT CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-09 WO disclosed
WO-1995002420-A2 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1995-01-26 WO 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