SCHEMBL28907433

SCHEMBL28907433

Nc1ccccc1-c1cccnc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAP4K4 O95819 1/20 0.50
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 2/20 0.47
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
NOS3 P29474 3/20 0.46
NOS1 P29475 3/20 0.46
NOS2 P35228 3/20 0.46
HSD17B10 Q99714 1/20 0.44
BACE1 P56817 2/20 0.43
IDO1 P14902 3/20 0.42
ATAD2 Q6PL18 1/20 0.42
AKT1 P31749 2/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL30046325 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAP4K4MKNK1MKNK2
SCHEMBL10062975 0.88 MAP4K4 (0.59) MAP4K4MKNK1MKNK2CDK1CDK2
SCHEMBL30968134 0.85 MAP4K4 (0.57) MAP4K4MKNK1MKNK2CDK1CDK2
SCHEMBL11567609 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10IDO1GAA
SCHEMBL7086361 0.79 MAP4K4 (0.58) ALDH1A1L3MBTL1MAP4K4MKNK1MKNK2
SCHEMBL19475174 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MKNK1MKNK2NOS3
SCHEMBL12518469 0.78 NOS3 (0.65) MAP4K4MKNK1MKNK2CDK1CDK2
SCHEMBL13963599 0.78 DPP4 (0.51) ALDH1A1MAP4K4MKNK1MKNK2CDK1
SCHEMBL30285138 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MKNK1MKNK2NOS3
SCHEMBL16196249 0.78 MKNK1 (0.47) ALDH1A1L3MBTL1MAP4K4MKNK1MKNK2

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-115434160-A Polyimide heating body and preparation method thereof 上海晶顿科技有限公司 2022-12-06 CN claimed
CN-115434160-A Polyimide heating body and preparation method thereof 上海晶顿科技有限公司 2022-12-06 CN disclosed