SCHEMBL1079073

SCHEMBL1079073

C=CCn1cnc2cncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.50
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
LTA4H P09960 1/20 0.43
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2B P29275 3/20 0.38
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL28929100 0.86 FDPS (0.43) FDPSHDAC1HDAC6LTA4HHPGD
SCHEMBL30586378 0.83 HPGD (0.39) FDPSHDAC1HDAC6LTA4HHPGD
SCHEMBL4558644 0.83 FDPS (0.54) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL28817988 0.80 FDPS (0.54) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL10857669 0.80 FDPS (0.54) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL4592188 0.80 FDPS (0.51) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL28615898 0.79 AHCY (0.55) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL27932506 0.79 FDPS (0.53) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL434034 0.78 FDPS (0.44) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL3671306 0.77 FDPS (0.51) FDPSHDAC1HDAC6LTA4HADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377104-B1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-12-21 EP claimed
CN-108472370-B Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-07-12 CN claimed
CN-100490818-C Methods for treating hepatitis delta virus infection with beta-L-2' deoxy-uncleosides NOVARTIS AG (CH) 2009-05-27 CN claimed
CN-101099745-A Methods and compositions for treating flaviviruses and pestiviruses IDENIX CAYMAN LTD (VG) 2008-01-09 CN claimed
CN-1849142-A 2'-branched nucleosides and flaviviridae mutation IDENIX CAYMAN LTD (KY) 2006-10-18 CN claimed
CN-114990591-B Method for synthesizing chiral acyclic nucleoside compound by electrochemical asymmetric dihydroxylation reaction 河南师范大学 2024-02-20 CN disclosed
CN-116693394-A Dehydrazine method and application 大连理工大学 2023-09-05 CN disclosed
WO-2023028605-A1 COMPOSITIONS FOR TARGETING FLI-1 AND METHODS OF USE THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT D/B/A ZUCKER INSTITUTE FOR INNOVATION COMMERCIALIZATION (US) 2023-03-02 WO disclosed
EP-3377104-B1 MODULATING PERMEABILITY OF THE BLOOD CEREBROSPINAL FLUID BARRIER MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-12-21 EP disclosed
CN-115282277-A Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-11-04 CN disclosed
CN-114990591-A Method for synthesizing chiral acyclic nucleoside compound by electrochemical asymmetric dihydroxylation reaction 河南师范大学 2022-09-02 CN disclosed
CN-108472370-B Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-07-12 CN disclosed
WO-2004050839-A2 FRAGMENTATION-BASED METHODS AND SYSTEMS FOR SEQUENCE VARIATION DETECTION AND DISCOVERY SEQUENOM, INC. (US) 2004-06-17 WO disclosed
CN-1473201-A Method for amplification and optional characterisation of nucleic acids �������ƿ˹�����ѧ�ƿ�ѧԺ 2004-02-04 CN disclosed
CN-1444483-A Methods of treating hepatitis delta virus infection with beta-L-2' -deoxynucleosides EDENNICKS CAYMAN CO LTD (KY) 2003-09-24 CN disclosed
CN-1402729-A Polycycloalkylpurines as adenosine receptor antagonists BIOGEN INC (US) 2003-03-12 CN disclosed
EP-0475411-B1 Novel carbocyclic adenosine analogs useful as immunosuppressants AVENTIS PHARMA INC (US) 2001-06-13 EP disclosed
WO-2000006573-A1 ANTIVIRAL ALKYL SUBSTITUTED PURINE DERIVATIVES AND THEIR PREPARATION Kemijski inštitut (SI) 2000-02-10 WO disclosed
EP-0664294-A1 Production of nucleoside analogues Reese, Colin (GB) 1995-07-26 EP disclosed
EP-0264081-A3 OXADIAZOLYL ALKYL PURIN DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS 1989-11-15 EP disclosed