SCHEMBL101669

SCHEMBL101669

C=C(C)CCNc1nc(SC)nc2nc[nH]c12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HSP90AB1 P08238 3/20 0.40
HTT P42858 1/20 0.40
CDK1 P06493 2/20 0.40
IP6K1 Q92551 2/20 0.39
NUDT1 P36639 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CCNB1 P14635 1/20 0.39
MGMT P16455 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PRKACA P17612 2/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL29404312 1.00 CYP3A4 (0.67) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL28996831 0.88 CYP1A2 (0.55) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL16341910 0.87 CYP1A2 (0.53) CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL3046544 0.84 CYP1A2 (0.50) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL29249244 0.83 CYP3A4 (0.45) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL3907002 0.82 CDK1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL30150726 0.82 CYP3A4 (0.44) CYP3A4CYP1A2CYP2D6CYP2C19HDAC1
SCHEMBL28117129 0.81 CYP1A2 (0.43) CYP3A4CYP1A2CYP2D6CYP2C19CDK1
SCHEMBL29392628 0.80 CYP1A2 (0.70) CYP3A4CYP1A2CYP2D6CYP2C19HSP90AB1
SCHEMBL20118 0.80 CYP1A2 (0.70) CYP3A4CYP1A2CYP2D6CYP2C19HSP90AB1

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

Appears in 17156 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257360-A1 OLIGONUCLEOTIDE INTERFERENCE TREATMENTS OF PROSTATE CANCER UNIV OKLAHOMA (US) 2025-08-14 US claimed
EP-4504945-A2 OLIGONUCLEOTIDE INTERFERENCE TREATMENTS OF PROSTATE CANCER The Board of Regents of the University of Oklahoma (US) 2025-02-12 EP claimed
US-12146139-B2 Oligonucleotide interference treatments of prostate cancer THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2024-11-19 US claimed
US-20240229109-A1 METHODS FOR IDENTIFICATION AND RATIO DETERMINATION OF RNA SPECIES IN MULTIVALENT RNA COMPOSITIONS MODERNATX, INC. (US) 2024-07-11 US claimed
CN-118076741-A Modified mRNA, modified non-coding RNA and uses thereof 布罗德研究所股份有限公司 2024-05-24 CN claimed
CN-117778530-A Method for adding preset joint to 5' end of single-stranded DNA 清华大学 2024-03-29 CN claimed
EP-4337331-A1 MODIFIED MRNA, MODIFIED NON-CODING RNA, AND USES THEREOF The Broad Institute Inc. (US) 2024-03-20 EP claimed
EP-4314332-A2 METHODS FOR IDENTIFICATION AND RATIO DETERMINATION OF RNA SPECIES IN MULTIVALENT RNA COMPOSITIONS ModernaTX, Inc. (US) 2024-02-07 EP claimed
WO-2023141474-A9 POLY-TAILED AND POLY-CAPPED MRNA AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-10-26 WO claimed
WO-2023196944-A2 OLIGONUCLEOTIDE INTERFERENCE TREATMENTS OF PROSTATE CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-10-12 WO claimed
US-20050042327-A1 Methods and compositions for increasing fermentation of a microorganism VDF FUTURECEUTICALS 2005-02-24 US claimed
EP-1308511-A1 Use of angiopoietin-like 1 and angiopoietin-like 2 nucleic acids and proteins for the treatment of blood-related disorders and defects in vasculature. Mermaid Pharmaceuticals GmbH (DE) 2003-05-07 EP claimed
EP-1295130-A2 NIMR COMPOSITIONS AND THEIR METHODS OF USE TRUSTEES OF TUFTS COLLEGE (US) 2003-03-26 EP claimed
JP-2002531470-A 2002-09-24 JP claimed
EP-1163374-A2 ARRAYS OF ORGANIC COMPOUNDS ATTACHED TO SURFACES Syntrix Biochip, Inc. (US) 2001-12-19 EP claimed
WO-2001070776-A2 NIMR COMPOSITIONS AND THEIR METHODS OF USE TRUSTEES OF TUFTS COLLEGE (US) 2001-09-27 WO claimed
WO-2000033084-A2 ARRAYS OF ORGANIC COMPOUNDS ATTACHED TO SURFACES SYNTRIX BIOCHIP, INC. (US) 2000-06-08 WO claimed
US-5998596-A Inhibition of protein kinase activity by aptameric action of oligonucleotides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-12-07 US claimed
WO-1998042723-A9 METHODS AND COMPOSITIONS FOR THE DIAGNOSIS AND TREATMENT OF NEUROPSYCHIATRIC DISORDERS 1999-03-04 WO claimed
US-5486603-A Oligonucleotide having enhanced binding affinity GILEAD SCIENCES, INC. (US) 1996-01-23 US claimed