SCHEMBL491764

SCHEMBL491764

C=C(c1ccncc1)c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.50
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
GFER P55789 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2A6 P11509 1/20 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
SCHEMBL135603 0.97 MAPT (0.52) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL6246649 0.89 KMT2A (0.60) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL28057363 0.87 MAPT (0.52) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL13884469 0.85 MAPT (0.52) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL5237011 0.85 NAPRT (0.39) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL28158934 0.83 NPC1 (0.42) NAPRTMAPTHSD17B10HTTGFER
Pyrazine SCHEMBL27427242 0.80 MEN1 (0.50) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL859852 0.80 HDAC8 (0.58) NAPRTMAPTHSD17B10HTTGFER
SCHEMBL28618762 0.79
SCHEMBL11211161 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128326-A Polyacid based supermolecular material and preparation method with difunctional electrocatalysis characteristic 哈尔滨理工大学 2019-08-16 CN claimed
CN-108373444-A Fluorescence viologen derivative and its application and preparation method 上海大学 2018-08-07 CN claimed
CN-105283445-A Metal complex, adsorbing material, separating material, and method for separating 1, 3-butadiene SHOWA DENKO KK 2016-01-27 CN claimed
EP-2917224-A1 METAL-ORGANIC MATERIALS (MOMS) FOR ADSORPTION OF POLARIZABLE GASES AND METHODS OF USING MOMS University Of South Florida (US) 2015-09-16 EP claimed
WO-2014074378-A1 METAL-ORGANIC MATERIALS (MOMS) FOR ADSORPTION OF POLARIZABLE GASES AND METHODS OF USING MOMS UNIVERSITY OF SOUTH FLORIDA (US) 2014-05-15 WO claimed
EP-2232254-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS Sigma-Aldrich Co. (US) 2010-09-29 EP claimed
US-20100105053-A1 APTAMER BASED SENSORS AND RELATED METHODS AND SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-04-29 US claimed
EP-2158620-A1 PIEZOCHROME COMPOSITE Totalförsvarets Forskningsinstitut (SE) 2010-03-03 EP claimed
WO-2009098001-A1 ORGANOMETALLIC SKELETON COMPOUNDS ON THE BASIS OF TRIPTYCENE BAYER MATERIALSCIENCE AG (DE) 2009-08-13 WO claimed
WO-2009086304-A1 METHODS AND DEVICES FOR SIMULTANEOUSLY DETECTING OZONE AND CARBONYL- CONTAINING COMPOUNDS SIGMA-ALDRICH CO. (US) 2009-07-09 WO claimed
WO-2008147282-A1 PIEZOCHROME COMPOSITE Totalförsvarets Forskningsinstitut (SE) 2008-12-04 WO claimed
US-20080274419-A1 Photoconductors XEROX CORPORATION 2008-11-06 US claimed
WO-2024069157-A1 SANDWICH IMMUNOASSAY AND KIT FOR DETECTION OF LISTERIA BACTERIA UNIVERSITY OF STRATHCLYDE (GB) 2024-04-04 WO disclosed
CN-115304777-B Electrochemical method for synthesizing columnar copper-based metal-organic framework coating 北京化工大学 2023-06-13 CN disclosed
CN-115304777-A Electrochemical method for synthesizing column layer type copper-based metal-organic framework coating 北京化工大学 2022-11-08 CN disclosed
US-11479844-B2 Flexible substrate having a plasmonic particle surface coating and method of making the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-10-25 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
WO-1993008165-A1 DNA BIS-INTERCALATORS ISIS INNOVATION LIMITED (GB) 1993-04-29 WO disclosed