SCHEMBL4316258

SCHEMBL4316258

CC(=O)N(c1ccc([N+](=O)[O-])cc1)C(CO)CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 2/20 0.46
MAPT P10636 5/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CRHBP P24387 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CES1 P23141 2/20 0.41
CES2 O00748 1/20 0.40

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
SCHEMBL7782935 0.78 ALDH1A1 (0.47) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL6136487 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL11133173 0.76 MAPK1 (0.44) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL2103568 0.73 MAPK1 (0.55) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL874309 0.73 MAPK1 (0.55) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL2104354 0.72 ALDH1A1 (0.66) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL7403526 0.72 ALDH1A1 (0.41) ALDH1A1MAPK1MAPTL3MBTL1KMT2A
SCHEMBL3154682 0.71 MAPK1 (0.53) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL9631542 0.71 MAPK1 (0.53) ALDH1A1MAPK1MAPTTSHRL3MBTL1
SCHEMBL7035059 0.71 MAPK1 (0.53) ALDH1A1MAPK1MAPTTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed