SCHEMBL14636151

SCHEMBL14636151

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.56
LMNA P02545 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
P2RY1 P47900 5/20 0.54
P2RY2 P41231 3/20 0.54
SRC P12931 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TRPM2 O94759 2/20 0.54
DNPH1 O43598 1/20 0.54
PRKAB2 O43741 1/20 0.54
LDHA P00338 1/20 0.54
ADRB2 P07550 1/20 0.54
FBP1 P09467 1/20 0.54
ADORA1 P30542 1/20 0.54
PRKAG1 P54619 1/20 0.54
PRKAA2 P54646 1/20 0.54
PDE4D Q08499 1/20 0.54
KCNH2 Q12809 1/20 0.54
PRKAA1 Q13131 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL675658 0.98 LMNA (0.58) TKTLMNATDP1P2RY1P2RY2
SCHEMBL6862756 0.91 TDP1 (0.53) TKTLMNATDP1P2RY1P2RY2
SCHEMBL31005215 0.90 P2RY1 (0.56) LMNAP2RY1P2RY2SRCSMN1; SMN2
Cocarboxylase SCHEMBL14636148 0.90 LMNA (0.63) TKTLMNATDP1P2RY1P2RY2
Adenosine SCHEMBL675657 0.89 LMNA (0.62) TKTLMNATDP1P2RY1P2RY2
Adenosine SCHEMBL2702312 0.86 LMNA (0.56) TKTLMNATDP1P2RY1P2RY2
Hydrochloric Acid SCHEMBL7793647 0.85 TDP1 (0.55) TKTLMNATDP1RNASEL
Adenosine SCHEMBL6862749 0.84 HSP90AA1 (0.53) TKTLMNATDP1P2RY1P2RY2
Adenosine Triphosphate SCHEMBL28087656 0.83 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2TRPM2
Adenosine SCHEMBL15347371 0.82 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2023021279-A1 CELL TRANSPORT AND STORAGE COMPOSITION AND METHOD Life Science Group Limited (GB) 2023-02-23 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-10179155-B2 Phosphodiesterase-4 inhibiting phytochemical compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2019-01-15 US disclosed
WO-2018218287-A1 TREATMENT AND/OR PREVENTION OF NEUROPATHIC SYMPTOMS ASSOCIATED WITH DIABETES MELLITUS TYPE II Woodlinda Pty Ltd (AU) 2018-12-06 WO disclosed
US-20170065652-A1 Phosphodiesterase-4 Inhibiting Phytochemical Compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2017-03-09 US disclosed
US-20170065653-A1 Phosphodiesterase Inhibiting Phytochemical Compositions NATURE'S SUNSHINE PRODUCTS, INC. (US) 2017-03-09 US disclosed
WO-2015130995-A1 PHOSPHODIESTERASE INHIBITING PHYTOCHEMICAL COMPOSITIONS TRIPP MATTHEW L (US) 2015-09-03 WO disclosed
WO-2015130994-A1 PHOSPHODIESTERASE-4 INHIBITING PHYTOCHEMICAL COMPOSITIONS TRIPP MATTHEW L (US) 2015-09-03 WO disclosed
EP-2734847-A1 METHOD AND ANALYTICAL KIT FOR SIMULTANEOUS QUANTIFICATION OF B-COMPLEX VITAMIN CONTENT IN FOOD Tallinn University Of Technology (EE) 2014-05-28 EP disclosed
US-20130102624-A1 EARLY DETECTION OF THIAMINE DEFICIENCY SCHLOSS JOHN V (US) 2013-04-25 US disclosed
WO-2013010553-A1 METHOD AND ANALYTICAL KIT FOR SIMULTANEOUS QUANTIFICATION OF B-COMPLEX VITAMIN CONTENT IN FOOD TALLINN UNIVERSITY OF TECHNOLOGY (EE) 2013-01-24 WO disclosed