SCHEMBL28675573

SCHEMBL28675573

NC#Cc1cnccn1.c1cc2cc-2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
PSIP1 O75475 1/20 0.40
AXL P30530 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GRM5 P41594 2/20 0.38
HAO1 Q9UJM8 1/20 0.35
CYP2A6 P11509 3/20 0.33
MAP4K4 O95819 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KMO O15229 1/20 0.33
HSP90AA1 P07900 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
KDR P35968 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32

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
SCHEMBL27790282 0.85
SCHEMBL31286309 0.72 GRM5 (0.59) GRM5HAO1HSP90AA1
SCHEMBL15870932 0.72 GRM5 (0.59) GRM5HAO1HSP90AA1
SCHEMBL21290740 0.70 PIM2 (0.55) MEN1PSIP1AXLMKNK1MKNK2
SCHEMBL7421591 0.69 GRM5 (0.46) GRM5HAO1CYP1A2CYP11B2
SCHEMBL4855910 0.68 GRM5 (0.60) GRM5CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL402092 0.67 GRM5 (0.50) MEN1GRM5HAO1ALDH1A1CYP1A2
SCHEMBL21322286 0.66 PIM2 (0.55) CYP2A6PIM2KMOSIRT2KDR
SCHEMBL27519625 0.66 PIM2 (0.55) CYP2A6PIM2KMOSIRT2KDR
SCHEMBL4711600 0.66 GRM5 (0.67) MEN1GRM5ALDH1A1CYP1A2CYP3A4

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 9 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
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