SCHEMBL2934674

SCHEMBL2934674

O=[N+]([O-])c1ccc([C@H]2O[C@@H]2c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 1/20 0.58
EPHX1 P07099 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CRHBP P24387 1/20 0.50
ATM Q13315 1/20 0.50
CRHR2 Q13324 1/20 0.50
TLR9 Q9NR96 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
MMP2 P08253 1/20 0.47
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL2934676 1.00 ALDH1A1 (0.58) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
SCHEMBL2934678 1.00 ALDH1A1 (0.58) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
SCHEMBL11693135 0.94 EPHX1 (0.61) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
SCHEMBL16142353 0.83 ALDH1A1 (0.62) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
SCHEMBL12346269 0.80 EPHX1 (0.60) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
SCHEMBL22335132 0.78 NPC1 (0.57) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL11743032 0.78 EPHX1 (0.54) ALDH1A1LMNAEPHX1L3MBTL1KMT2A
Nitrobenzene SCHEMBL7748458 0.78 ALDH1A1 (0.94) ALDH1A1LMNAL3MBTL1KMT2AMEN1
Benzene SCHEMBL28311584 0.78 ALDH1A1 (0.82) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL8746372 0.77 EPHX1 (0.53) ALDH1A1LMNAEPHX1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180052161-A1 BIOMARKERS FOR MALARIA DIAGNOSIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2018-02-22 US disclosed
WO-2016149386-A1 BIOMARKERS FOR MALARIA DIAGNOSIS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2016-09-22 WO disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
EP-0724569-B1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE AVECIA LTD (GB) 2003-03-12 EP disclosed
US-5703246-A REACTING AN ORGANOMETALLIC COMPOUND WITH ORGANOSULFUR COMPOUND ZENECA LIMITED (GB) 1997-12-30 US disclosed
EP-0724569-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1995011230-A1 PROCESS FOR THE PREPARATION OF AN OXIRANE, AZIRIDINE OR CYCLOPROPANE ZENECA LIMITED (GB) 1995-04-27 WO disclosed