SCHEMBL5089682

SCHEMBL5089682

CCc1cccnc1-c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
LMNA P02545 3/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
CYP1A2 P05177 2/20 0.48
POLB P06746 1/20 0.48
METAP1 P53582 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
NPC1 O15118 3/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
CYP2A6 P11509 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
TP53 P04637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL30551751 1.00 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
Iodide SCHEMBL8962203 0.98 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30835128 0.85 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28666557 0.85 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7644327 0.83 TDP1 (0.44) KDM4ELMNACYP1A2BLMTDP1
SCHEMBL29542562 0.82 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29542978 0.82 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14722433 0.82 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17729908 0.81 TRPV1 (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7036968 0.81 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462720-B2 Determination of nucleic acid using electrocatalytic intercalators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-12-09 US claimed
EP-1781676-A1 MEDIATOR-MODIFIED REDOX BIOMOLECULES FOR USE IN ELECTROCHEMICAL DETERMINATION OF ANALYTE Agency for Science, Technology and Research (SG) 2007-05-09 EP claimed
WO-2006011853-A1 MEDIATOR-MODIFIED REDOX BIOMOLECULES FOR USE IN ELECTROCHEMICAL DETERMINATION OF ANALYTE AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-02-02 WO claimed
CN-113683968-B Ultraviolet light curing adhesive composition based on nitrogen heterocyclic acrylate compound and application method and application thereof 西安思摩威新材料有限公司 2023-04-07 CN disclosed
CN-113683968-A Ultraviolet light curing adhesive composition based on azacyclo-acrylate compound and application method and application thereof 西安思摩威新材料有限公司 2021-11-23 CN disclosed
WO-2001048751-A2 MOLECULAR LEVEL OPTICAL INFORMATION STORAGE DEVICES MOLECULAR STORAGE TECHNOLOGIES, INC. (US) 2001-07-05 WO disclosed
WO-2000053642-A1 CONTROLLED (CO)POLYMERISATION WITH N-HETEROCYCLES METAL COMPLEX SYSTEMS SCHUBERT ULRICH S (DE) 2000-09-14 WO disclosed