SCHEMBL7047463

SCHEMBL7047463

Nc1ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 6/20 0.53
TDP1 Q9NUW8 4/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 3/20 0.50
RECQL P46063 1/20 0.50
LMNA P02545 1/20 0.42
CYP1A2 P05177 2/20 0.41
PDK1 Q15118 1/20 0.40
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
CASP6 P55212 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 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
SCHEMBL7047455 1.00 ALOX15 (0.54) ALOX15MAPK1HSD17B10L3MBTL1ALDH1A1
SCHEMBL3528404 0.80 ATM (0.49) L3MBTL1ALDH1A1TDP1TSHRLMNA
SCHEMBL1223088 0.80 CYP1A2 (0.44) MAPK1ALDH1A1TSHRCYP1A2PDK1
SCHEMBL27838069 0.80 TSHR (0.55) ALDH1A1TDP1CYP3A4TSHRPDK1
SCHEMBL7043142 0.80 CASP6 (0.64) TSHRLMNAPDK1CASP6
SCHEMBL1223091 0.80 CYP1A2 (0.44) MAPK1ALDH1A1TSHRCYP1A2PDK1
SCHEMBL7682006 0.80 MAPK1 (0.49) MAPK1L3MBTL1ALDH1A1CYP3A4TSHR
SCHEMBL7043138 0.80 CASP6 (0.64) TSHRLMNAPDK1CASP6
SCHEMBL2494783 0.80 CYP1A2 (0.41) MAPK1ALDH1A1TSHRLMNACYP1A2
SCHEMBL7682012 0.80 MAPK1 (0.49) MAPK1L3MBTL1ALDH1A1CYP3A4TSHR

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 6 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
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