SCHEMBL8340910

SCHEMBL8340910

Nc1cnc(C#Cc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.51
GRM5 P41594 11/20 0.50
MAPT P10636 2/20 0.47
APP P05067 1/20 0.46
NOS1 P29475 1/20 0.46
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL24538232 0.81 GRM5 (0.47) GRM5APPNOS1
SCHEMBL2520962 0.77 GRM5 (0.46) GRM4GRM5APPFFAR1FFAR4
SCHEMBL1642511 0.76 PIK3CA (0.56) GRM4GRM5MAPTAPPFFAR1
SCHEMBL30525699 0.73 SMN1; SMN2 (0.40) MAPTNOS1FFAR1FFAR4KDM4E
SCHEMBL24538233 0.73 SMN1; SMN2 (0.40) MAPTNOS1FFAR1FFAR4KDM4E
SCHEMBL403731 0.71 GRM5 (0.61) GRM4GRM5MAPTAPPFFAR1
SCHEMBL402092 0.71 GRM5 (0.50) GRM4GRM5APPKDM4EMEN1
SCHEMBL8115895 0.71 GRM5 (0.61) GRM4GRM5MAPTAPPKDM4E
SCHEMBL2362132 0.69 GRM5 (0.47) GRM4GRM5APPNOS1KDM4E
SCHEMBL6595034 0.69 GRM5 (0.54) GRM4GRM5APPFFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113960007-B Method for identifying organic food based on food structure energy and processing energy storage 杭州食疗晶元生物科技有限公司 2024-03-05 CN claimed
CN-114018880-B Method for identifying purified water and natural mineral water based on endogenous active intermediate 杭州食疗晶元生物科技有限公司 2024-02-27 CN claimed
CN-114018880-A Method for identifying purified water and natural mineral water based on endogenous active intermediate 杭州食疗晶元生物科技有限公司 2022-02-08 CN claimed
CN-113960007-A Method for identifying organic food based on food structure energy and processing energy storage 杭州食疗晶元生物科技有限公司 2022-01-21 CN claimed
JP-11209379-A None JP disclosed
CN-113960007-B Method for identifying organic food based on food structure energy and processing energy storage 杭州食疗晶元生物科技有限公司 2024-03-05 CN disclosed
CN-114018880-B Method for identifying purified water and natural mineral water based on endogenous active intermediate 杭州食疗晶元生物科技有限公司 2024-02-27 CN disclosed
CN-114018880-B Method for identifying purified water and natural mineral water based on endogenous active intermediate 杭州食疗晶元生物科技有限公司 2024-02-27 CN disclosed
CN-114018880-A Method for identifying purified water and natural mineral water based on endogenous active intermediate 杭州食疗晶元生物科技有限公司 2022-02-08 CN disclosed
CN-113960007-A Method for identifying organic food based on food structure energy and processing energy storage 杭州食疗晶元生物科技有限公司 2022-01-21 CN disclosed
JP-H11209379-A SUPEROXIDE DETECTION REAGENT ATOO KK 1999-08-03 JP disclosed