SCHEMBL4317980

SCHEMBL4317980

Cn1c[n+]([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c2[nH]c(N)nc(=O)c21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.66
P2RY1 P47900 6/20 0.65
P2RY2 P41231 2/20 0.65
P2RX1 P51575 2/20 0.65
P2RX3 P56373 2/20 0.65
ALDH1A1 P00352 2/20 0.65
SRC P12931 1/20 0.65
P2RX4 Q99571 1/20 0.65
P2RX2 Q9UBL9 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MACROD2 A1Z1Q3 1/20 0.62
SIRT6 Q8N6T7 1/20 0.62
MACROD1 Q9BQ69 1/20 0.62
TRPM2 O94759 1/20 0.62
PARG Q86W56 1/20 0.58
RNASEL Q05823 1/20 0.58

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
SCHEMBL29689260 0.83 DCPS (0.92) DCPSP2RY2P2RX3
SCHEMBL29450799 0.83 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL29462362 0.83 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL29658869 0.83 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL6438242 0.83 P2RY1 (0.80) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4069414 0.81 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL10069136 0.81 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL1744586 0.81 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
Diadenosine Tetraphosphate SCHEMBL4363130 0.81 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1
SCHEMBL21067711 0.81 P2RY1 (1.00) P2RY1P2RY2P2RX1P2RX3ALDH1A1

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