SCHEMBL28913832

SCHEMBL28913832

Cc1cc(C(N)Cc2ccccn2)c(O)c(C(N)Cc2ccccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.54
GRIN3B O60391 1/20 0.54
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
GRIN3A Q8TCU5 1/20 0.54
FDPS P14324 1/20 0.42
PTPRA P18433 1/20 0.42
KMT2A Q03164 2/20 0.40
HRH1 P35367 1/20 0.38
ACHE P22303 1/20 0.37
NOS1 P29475 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3282853 0.75 GRIN2D (0.69) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9367596 0.72 GRIN2B (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8862762 0.71 GRIN2B (0.73) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27241322 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30951075 0.71 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Lanicemine SCHEMBL1422817 0.71 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Lanicemine SCHEMBL30415652 0.71 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Lanicemine SCHEMBL13557819 0.71 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Lanicemine SCHEMBL29379976 0.71 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6933088 0.71 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601558-A System and method for hydrogen peroxide sterilization performance monitoring 美可帮产品公司 2021-04-02 CN claimed
CN-112601558-A System and method for hydrogen peroxide sterilization performance monitoring 美可帮产品公司 2021-04-02 CN disclosed