SCHEMBL5827633

SCHEMBL5827633

CN(C)C(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
CYP3A4 P08684 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.45
GPR174 Q9BXC1 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
LMNA P02545 4/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL11120951 0.81 MAPT (0.74) MAPTCYP3A4BLMPMP22KMT2A
Tretazicar SCHEMBL366755 0.80 MAPT (1.00) MAPTCYP3A4BLMPMP22KMT2A
Tretazicar SCHEMBL29375352 0.80 MAPT (1.00) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL6573581 0.78 MAPT (0.50) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL3492841 0.76 MAPT (0.75) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL5061949 0.73 KMT2A (0.53) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL28153041 0.72 KDM4E (0.61) MAPTCYP3A4BLMPMP22NPSR1
SCHEMBL5827945 0.72 MAPT (0.78) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL6151856 0.71 NPC1 (0.46) MAPTCYP3A4BLMPMP22KMT2A
SCHEMBL16305341 0.71 ALDH1A1 (0.67) CYP3A4KMT2AMEN1HPGDALDH1A1

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 11 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
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-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-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
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
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