SCHEMBL13816909

SCHEMBL13816909

[N-]=[N+]=Nc1ccccc1I

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR1A P08908 1/20 0.31
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
F2R P25116 1/20 0.31

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
SCHEMBL29844568 1.00 SIGMAR1 (0.36) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27630601 0.82 GABRA1 (0.34) SIGMAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL30858726 0.82 GABRA1 (0.34) SIGMAR1GABRA1GABRG2GABRB3GABRA5
SCHEMBL29498995 0.80 PDE4A (0.31) SLC6A3
SCHEMBL27849218 0.79 SLC6A3 (0.33) SLC6A3F2R
SCHEMBL13588509 0.79 SIGMAR1 (0.31) SIGMAR1SLC6A3F2R
SCHEMBL23355905 0.75 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrogen Sulfide SCHEMBL23355901 0.73 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13667402 0.71 SLC6A3 (0.36) SLC6A3ABCC9KCNJ11
SCHEMBL14028816 0.71 MAPT (0.54) F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773356-B Picroside II derivative and preparation method and application thereof 河南中医药大学 2024-02-02 CN claimed
EP-4043445-A1 METHOD FOR THE PREPARATION OF 2-AMINOBENZOXAZINONES FROM 1-AZIDO- 2-IODOBENZENES AND AMINES Evonik Operations GmbH (DE) 2022-08-17 EP claimed
CN-113773356-A Picroside II derivative and preparation method and application thereof 河南中医药大学 2021-12-10 CN claimed
CN-117865873-A 2-benzylidene indoline-3-ketone framework compound and synthesis method thereof 合肥工业大学 2024-04-12 CN disclosed
CN-114671874-B Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof 济南爱思医药科技有限公司 2024-02-02 CN disclosed
CN-113773356-B Picroside II derivative and preparation method and application thereof 河南中医药大学 2024-02-02 CN disclosed
EP-4043445-A1 METHOD FOR THE PREPARATION OF 2-AMINOBENZOXAZINONES FROM 1-AZIDO- 2-IODOBENZENES AND AMINES Evonik Operations GmbH (DE) 2022-08-17 EP disclosed
CN-114671874-A Theophylline acetic acid derivative with anti-tumor activity and preparation method and application thereof 济南爱思医药科技有限公司 2022-06-28 CN disclosed
CN-113980022-B Theophylline acetic acid derivative with antitumor activity and preparation method thereof 南开大学 2022-06-21 CN disclosed
CN-113980022-A Theophylline acetic acid derivative with antitumor activity and preparation method thereof 南开大学 2022-01-28 CN disclosed
CN-113773356-A Picroside II derivative and preparation method and application thereof 河南中医药大学 2021-12-10 CN disclosed
US-7550207-B2 Blue-emitting polymer and organic electroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-23 US disclosed
US-7521525-B2 Blue luminescent polymer and organoelectroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-04-21 US disclosed
US-7521525-B2 Blue luminescent polymer and organoelectroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-04-21 US disclosed
US-7521525-B2 Blue luminescent polymer and organoelectroluminescent device using the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-04-21 US disclosed
CN-100436567-C Blue-emitting polymer and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2008-11-26 CN disclosed
CN-1800298-A Blue-emitting polymer and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2006-07-12 CN disclosed
US-20060147753-A1 Blue-emitting polymer and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2006-07-06 US disclosed
US-20060063033-A1 Blue luminescent polymer and organoelectroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2006-03-23 US disclosed
CN-1749295-A Blue luminescent polymer and organoelectroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2006-03-22 CN disclosed