SCHEMBL30477201

SCHEMBL30477201

Cc1ccccc1-n1cc(-c2ccccn2)cc(-c2ccccc2C#N)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.73
GRIA3 P42263 1/20 0.73
PDE4D Q08499 1/20 0.73
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL1884996 0.91 GRIA1 (0.79) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL4067654 0.88 GRIA1 (0.62) GRIA1GRIA3PDE4DGAAHPGD
SCHEMBL14889214 0.87 GRIA1 (0.73) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1882807 0.87 GRIA1 (0.69) GRIA1GRIA3PDE4DMEN1KMT2A
SCHEMBL4072454 0.86 GRIA1 (0.66) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1879825 0.86 GRIA1 (0.68) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL1882035 0.85 GRIA1 (0.70) GRIA1GRIA3PDE4DKMT2AGABRA1
SCHEMBL1880152 0.85 GRIA1 (0.70) GRIA1GRIA3PDE4DHPGDLMNA
SCHEMBL1881660 0.85 GRIA1 (0.70) GRIA1GRIA3PDE4DGABRA1GABRG2
SCHEMBL30477204 0.85 GRIA1 (0.84) GRIA1GRIA3PDE4DMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116429937-A Detection method for related substances in pirenzepine bulk drug and application thereof 山东达因海洋生物制药股份有限公司 2023-07-14 CN claimed