SCHEMBL675658

SCHEMBL675658

Cc1ncc(C[n+]2csc(CCOP(=O)(OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)C3O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
RNASEL Q05823 5/20 0.55
TKT P29401 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
P2RY1 P47900 4/20 0.53
P2RY2 P41231 3/20 0.53
P2RX1 P51575 3/20 0.53
P2RX3 P56373 3/20 0.53
SRC P12931 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
P2RX2 Q9UBL9 2/20 0.53
P2RX4 Q99571 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TRPM2 O94759 2/20 0.52
DNPH1 O43598 1/20 0.52
PRKAB2 O43741 1/20 0.52
LDHA P00338 1/20 0.52
ADRB2 P07550 1/20 0.52
FBP1 P09467 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL14636151 0.98 TKT (0.56) LMNARNASELTKTTDP1P2RY1
Cocarboxylase SCHEMBL14636148 0.91 LMNA (0.63) LMNARNASELTKTTDP1P2RY1
SCHEMBL31005215 0.91 P2RY1 (0.56) LMNARNASELP2RY1P2RY2P2RX1
Adenosine SCHEMBL675657 0.91 LMNA (0.62) LMNARNASELTKTTDP1P2RY1
SCHEMBL6862756 0.90 TDP1 (0.53) LMNARNASELTKTTDP1P2RY1
Adenosine SCHEMBL2702312 0.86 LMNA (0.56) LMNARNASELTKTTDP1P2RY1
Hydrochloric Acid SCHEMBL7793647 0.85 TDP1 (0.55) LMNARNASELTKTTDP1
Adenosine Triphosphate SCHEMBL28087656 0.84 P2RY1 (0.56) RNASELP2RY1P2RY2P2RX1P2RX3
Adenosine SCHEMBL6862749 0.83 HSP90AA1 (0.53) LMNARNASELTKTTDP1P2RY1
Adenosine SCHEMBL15347371 0.81 HSP90AA1 (0.57) SMN1; SMN2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230410977-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES 2023-12-21 US claimed
WO-2022140565-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES (US) 2022-06-30 WO claimed
EP-4387444-A1 CELL TRANSPORT AND STORAGE COMPOSITION AND METHOD Life Science Group Limited (GB) 2024-06-26 EP disclosed
CN-114364267-B Novel flavor composition, preparation method and application thereof 国际香料和香精公司 2024-01-30 CN disclosed
US-20230410977-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES 2023-12-21 US disclosed
WO-2023021279-A1 CELL TRANSPORT AND STORAGE COMPOSITION AND METHOD Life Science Group Limited (GB) 2023-02-23 WO disclosed
WO-2022140565-A1 METHODS AND MATERIALS FOR ASSESSING RADIATION EXPOSURE NUTECH VENTURES (US) 2022-06-30 WO disclosed
EP-3996524-A1 NOVEL FLAVOR COMPOSITION AND METHODS OF PREPARATION AND USES THEREOF International Flavors and Fragrances Inc. (US) 2022-05-18 EP disclosed
CN-114364267-A Novel flavor composition, preparation method and application thereof 国际香料和香精公司 2022-04-15 CN disclosed
WO-2021007476-A1 NOVEL FLAVOR COMPOSITION AND METHODS OF PREPARATION AND USES THEREOF INTERNATIONAL FLAVORS AND FRAGRANCES INC. (US) 2021-01-14 WO disclosed
US-20200370091-A1 MASS SPECTROMETRY METHOD FOR MEASURING THIAMINE IN BODY FLUID QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2020-11-26 US disclosed
WO-2015130994-A1 PHOSPHODIESTERASE-4 INHIBITING PHYTOCHEMICAL COMPOSITIONS TRIPP MATTHEW L (US) 2015-09-03 WO disclosed
US-8663632-B1 Compositions and methods for selectively targeting cancer cells using a thiaminase compound UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-03-04 US disclosed
WO-2013085555-A2 MODULATION OF FERMENTATION PRODUCTS THROUGH VITAMIN SUPPLEMENTATION QTEROS, INC. (US) 2013-06-13 WO disclosed
US-20130115644-A1 MASS SPECTROMETRY METHOD FOR MEASURING THIAMINE IN BODY FLUID QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2013-05-09 US disclosed
US-20130102624-A1 EARLY DETECTION OF THIAMINE DEFICIENCY SCHLOSS JOHN V (US) 2013-04-25 US disclosed
US-20120107888-A1 MODULATION OF FERMENTATION PRODUCTS THROUGH VITAMIN SUPPLEMENTATION QTEROS, INC. (US) 2012-05-03 US disclosed
US-20110274679-A1 Compositions and Methods of SIRT Activation VDF FUTURECEUTICALS, INC. (US) 2011-11-10 US disclosed
WO-2010054052-A1 COMPOSITIONS AND METHODS OF SIRT ACTIVATION VDF FUTURECEUTICALS, INC. (US) 2010-05-14 WO disclosed
US-20090093009-A1 MASS SPECTROMETRY METHOD FOR MEASURING THIAMINE IN BODY FLUID QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2009-04-09 US disclosed