SCHEMBL7041971

SCHEMBL7041971

O=C(Nc1ccc(C(CO)CO)c([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
ATM Q13315 1/20 0.51
MGLL Q99685 2/20 0.50
POLB P06746 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
ENPP2 Q13822 2/20 0.46
ROCK2 O75116 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN1 P18031 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 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
SCHEMBL6179243 0.88 ALDH1A1 (0.52) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL7045118 0.88 ALDH1A1 (0.52) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL6183422 0.82 ALDH1A1 (0.53) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL12325527 0.81 KMT2A (0.63) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL29463677 0.81 LMNA (0.65) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL18812865 0.81 LMNA (0.65) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL17761731 0.81 MGLL (0.54) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL7044028 0.81 MGLL (0.54) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL906526 0.81 MEN1 (0.63) MAPTALDH1A1TP53NPC1RAB9A
SCHEMBL6180150 0.80 ENPP2 (0.57) MAPTALDH1A1TP53NPC1RAB9A

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