SCHEMBL7045119

SCHEMBL7045119

CC(C)(C)OC(=O)C(Cl)c1nc(N2CCOCC2)sc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
LMNA P02545 3/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
KMT2A Q03164 2/20 0.33
ALOX15 P16050 2/20 0.33
PIK3CG P48736 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL7046802 0.68 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL9761231 0.67 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9762260 0.65 ALDH1A1 (0.41) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL25380055 0.63 KDM4E (0.42) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL15880606 0.63 GRAMD1A (0.48) PIK3CDPIK3CAPIK3CBKDM4EMAPT
SCHEMBL9761837 0.63 CYP1A2 (0.43) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL9762538 0.62 SMN1; SMN2 (0.38) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL15356842 0.60 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CBALDH1A1KDM4E
SCHEMBL18282525 0.60 MAPT (0.52) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL9761506 0.60 KMT2A (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed