SCHEMBL7046802

SCHEMBL7046802

O=[N+]([O-])c1sc(N2CCOCC2)nc1CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.40
PIK3CA P42336 5/20 0.40
PIK3CB P42338 5/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
PIK3CG P48736 4/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 2/20 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
SCHEMBL9762538 0.80 SMN1; SMN2 (0.38) PIK3CDPIK3CAPIK3CBALOX15MAPT
SCHEMBL4845510 0.76 AR (0.51) PIK3CDPIK3CAPIK3CBALOX15MAPT
SCHEMBL9762260 0.76 ALDH1A1 (0.41) PIK3CDPIK3CAPIK3CBALOX15MAPT
SCHEMBL9761837 0.71 CYP1A2 (0.43) ALOX15MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7045119 0.68 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBALOX15MAPT
SCHEMBL9762505 0.68 KMT2A (0.44) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL15349156 0.67 AR (0.48) PIK3CDPIK3CAPIK3CBALOX15MAPT
SCHEMBL16896267 0.66 MAPT (0.47) ALOX15MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL7047798 0.66 CYP1A2 (0.56) ALOX15MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL9761676 0.66 LMNA (0.51) MAPTSMN1; SMN2RAB9ANPC1POLB

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