SCHEMBL251028

SCHEMBL251028

N#Cc1nccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
CYP2A6 P11509 1/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX15 P16050 3/20 0.42
PLG P00747 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL29358794 1.00 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
Phenanthrene SCHEMBL28860710 0.83 ALDH1A1 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL15947640 0.83 PLAU (0.54) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2852412 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL194554 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL2418686 0.79 CYP2A6 (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL7544045 0.79 PLAU (0.50) PLAUCYP2A6F12NCF1NOS3
SCHEMBL15124651 0.75 KDM4E (0.36) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL30576360 0.75 KDM4E (0.36) KDM4EALDH1A1POLBMAPTMAPK1
SCHEMBL15940603 0.75 ADORA2A (0.54) PLAUCYP2A6F12NCF1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
EP-3386511-B2 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-03-20 EP claimed
CN-117624251-A Binuclear cyclometalated platinum complex based on aromatic heterocyclic indole-aryl cyano isoquinoline and application thereof 常州大学 2024-03-01 CN claimed
CN-115160302-B Isoquinoline-oxazoline metal organic catalyst and preparation method and application thereof 万华化学集团股份有限公司 2024-02-27 CN claimed
CN-117003787-A Selective silicon-based-arylation method of olefin compound 南京大学 2023-11-07 CN claimed
EP-4126843-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2023-02-08 EP claimed
CN-115160302-A Isoquinoline-oxazoline metalloid organic catalyst and preparation method and application thereof 万华化学集团股份有限公司 2022-10-11 CN claimed
WO-2021194914-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2021-09-30 WO claimed
CN-110845509-A Corydalis saxicola tetrahydroisoquinoline alkaloid and application thereof 江西中医药大学 2020-02-28 CN claimed
CN-110248933-A Novel quinoline and isoquinoline derivatives for the treatment of pain and pain related disorders 埃斯特韦制药股份公司 2019-09-17 CN claimed
US-20040113127-A1 Resistor compositions having a substantially neutral temperature coefficient of resistance and methods and compositions relating thereto E.I. DU PONT DE NEMOURS AND COMPANY 2004-06-17 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed