SCHEMBL28486643

SCHEMBL28486643

N#Cc1ccc2c(c1)Sc1cc(C#N)ccc1N2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.73
NOX1 Q9Y5S8 5/20 0.43
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAOA P21397 2/20 0.41
CYP1A2 P05177 1/20 0.41
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 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
SCHEMBL30760623 1.00 SNCA (0.73) SNCANOX1GAAMAPTMEN1
SCHEMBL28481960 0.93 SNCA (0.65) SNCANOX1GAAMAPTMEN1
SCHEMBL30490473 0.93 SNCA (0.65) SNCANOX1GAAMAPTMEN1
SCHEMBL5114029 0.91 SNCA (0.63) SNCANOX1GAAMAPTMEN1
SCHEMBL28901495 0.83 SNCA (0.54) SNCANOX1GAAMAPTMEN1
SCHEMBL9759078 0.82 NOX1 (0.55) SNCANOX1GAAMAPTMEN1
SCHEMBL4073961 0.80 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL31024122 0.80 NOX1 (0.59) SNCANOX1GAAMAPTMEN1
SCHEMBL11397795 0.79 L3MBTL1 (0.62) SNCANOX1GAAMAPTTDP1
SCHEMBL9511458 0.78 SNCA (0.47) SNCAACHEPTGS1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112441992-A Nitrogen-containing heterocyclic compound and soluble porous polymer 华南理工大学 2021-03-05 CN claimed
CN-118599113-A Ultra-high barrier polyimide/montmorillonite nano-sheet composite material and preparation method thereof 扬州科实包装新材料有限公司 2024-09-06 CN disclosed
CN-118271309-A Electrochromic compound, preparation method thereof, electrochromic composition, electrochromic device and electronic equipment 比亚迪股份有限公司 2024-07-02 CN disclosed
CN-114478432-B Phenothiazine long-life organic room-temperature phosphorescent material containing haloalkyl chain, synthesis and application thereof 陕西师范大学 2024-02-02 CN disclosed
CN-115612099-B Low-expansion transparent copolyimide material and preparation method and application thereof 江西有泽新材料科技有限公司 2023-10-03 CN disclosed
CN-115612099-A Low-expansion transparent copolymerized polyimide material, preparation method and application 江西有泽新材料科技有限公司 2023-01-17 CN disclosed
CN-114478432-A Phenothiazine long-life organic room-temperature phosphorescent material containing halogenated alkyl chain and synthesis and application thereof 陕西师范大学 2022-05-13 CN disclosed
CN-112441992-B Nitrogen-containing heterocyclic compound and soluble porous polymer 华南理工大学 2021-09-21 CN disclosed
CN-112441992-A Nitrogen-containing heterocyclic compound and soluble porous polymer 华南理工大学 2021-03-05 CN disclosed
CN-111763182-A Diamine containing phenothiazine and amide structures and polyimide thereof 湖南工业大学 2020-10-13 CN disclosed