SCHEMBL28692899

SCHEMBL28692899

C[Si](C)(C)C#Cc1ccc(-c2ncncn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GRM5 P41594 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 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
SCHEMBL20985726 0.83 CLK4 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29410432 0.80 L3MBTL1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2854252 0.80 CYP1A1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306384 0.77 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22130309 0.75 RAB9A (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306505 0.75 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1421973 0.74 NPC1 (0.40)
SCHEMBL14164194 0.74 CYP1A1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28371198 0.74 RARB (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12477508 0.72 CYP1A2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117443361-A Material for adsorbing dye wastewater 榆林学院 2024-01-26 CN claimed
CN-117443361-A Material for adsorbing dye wastewater 榆林学院 2024-01-26 CN disclosed
CN-117443361-A Material for adsorbing dye wastewater 榆林学院 2024-01-26 CN disclosed
CN-113831512-B Polynitrogen conjugated microporous polymer and preparation method and application thereof 中山大学 2023-03-24 CN disclosed
CN-113831512-A Polynitrogen conjugated microporous polymer and preparation method and application thereof 中山大学 2021-12-24 CN disclosed