SCHEMBL898720

SCHEMBL898720

O=[N+]([O-])[C](Cc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
GLA P06280 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
SCHEMBL8945818 0.81 MAOA (0.59) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL8872043 0.81 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL10970697 0.81 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL4423311 0.80 ALDH1A1 (0.60) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL2033893 0.80 ALDH1A1 (0.51) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL74692 0.79 CYP1A2 (0.62) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL9582990 0.78 MEN1 (0.49) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL3267301 0.77 ALDH1A1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL258555 0.77 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL9690178 0.77 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1MEN1KMT2A

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603906-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ALPHA V BETA 3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-12-14 EP claimed
WO-2004078109-A2 PROCESS FOR SYNTHESISING USEFUL INTERMEDIATES FOR THE PREPARATION OF ανβ3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-09-16 WO claimed
WO-2024064769-A1 INDUCTION OF STEM-LIKE ACTIVATED T CELLS PHIO PHARMACEUTICALS CORP. (US) 2024-03-28 WO disclosed
EP-3319614-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXi Pharmaceuticals Corporation (US) 2018-05-16 EP disclosed
EP-3191500-A2 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS Academia Sinica (TW) 2017-07-19 EP disclosed
EP-3149015-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF Memorial Sloan-Kettering Cancer Center (US) 2017-04-05 EP disclosed
WO-2017007813-A1 NUCLEIC ACID MOLECULES TARGETING SUPEROXIDE DISMUTASE 1 (SOD1) RXI PHARMACEUTICALS CORPORATION (US) 2017-01-12 WO disclosed
WO-2016100444-A1 TREATMENT OF CLOSED HEAD INJURY AND HEMORRHAGIC STROKE WITH HBED UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-06-23 WO disclosed
WO-2016040369-A2 HUMAN iNKT CELL ACTIVATION USING GLYCOLIPIDS ACADEMIA SINICA (TW) 2016-03-17 WO disclosed
WO-2015184451-A1 MINIMAL SAPONIN ANALOGUES, SYNTHESIS AND USE THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2015-12-03 WO disclosed
EP-2935242-A2 METHODS OF INHIBITING PRMT5 Epizyme, Inc. (US) 2015-10-28 EP disclosed
WO-2005044308-A1 PHOSPHONATE ANALOGS OF ANTIMETABOLITES GILEAD SCIENCES, INC. (US) 2005-05-19 WO disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096285-A2 ANTI-INFECTIVE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096287-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
WO-2004096233-A2 NUCLEOSIDE PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 WO disclosed
EP-1353923-A1 IMPROVED PROCESS FOR CARBAPENEM SYNTHESIS Merck & Co., Inc. (US) 2003-10-22 EP disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP disclosed
WO-2002057266-A1 IMPROVED PROCESS FOR CARBAPENEM SYNTHESIS MERCK & CO., INC. (US) 2002-07-25 WO disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO disclosed