SCHEMBL7043142

SCHEMBL7043142

O=C(O)c1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.64
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.58
HCAR3 P49019 13/20 0.54
PDK1 Q15118 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL7043138 1.00 CASP6 (0.64) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL5174181 0.87 MAPT (0.52) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL5174175 0.87 MAPT (0.52) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7681995 0.84 MAPK1 (0.62) CASP6LMNAHCAR3PDK1
SCHEMBL7681987 0.84 MAPK1 (0.62) CASP6LMNAHCAR3PDK1
SCHEMBL16285736 0.84 CASP6 (0.60) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL7573511 0.83 PDK1 (0.70) CASP6TSHRLMNAHCAR3PDK1
SCHEMBL3582033 0.83 SRD5A2 (0.55) CASP6LMNAPDK1
SCHEMBL3582037 0.83 SRD5A2 (0.55) CASP6LMNAPDK1
SCHEMBL8482486 0.83 ALDH1A1 (0.62) CASP6TSHRLMNAHCAR3

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 8 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
US-5985909-A Cyclopropylindoles and their seco precursors, and their use as prodrugs CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-16 US disclosed
EP-0850220-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1998-07-01 EP disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007097-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1997-02-27 WO disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed