SCHEMBL29209690

SCHEMBL29209690

Cn1nc2c(C3CC3)cccc2c1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.38
PDK4 Q16654 6/20 0.38
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
PDK1 Q15118 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
RBP4 P02753 1/20 0.32
DHFR P00374 1/20 0.32
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR1F P30939 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL30881908 0.74 PDK2 (0.41) PDK2PDK4DRD2SLC6A4PDK1
SCHEMBL14416828 0.74 HRH4 (0.42) KDM4EHSD17B10MAPT
SCHEMBL4699239 0.74 HRH4 (0.44) DDB1CRBNKDM4EHSD17B10L3MBTL1
SCHEMBL3364397 0.69 MAPT (0.47) KDM4EHSD17B10MAPT
SCHEMBL29209760 0.68 PDK2 (0.43) PDK2PDK4PDK1ACHEHSD17B10
SCHEMBL30881643 0.68 PDK2 (0.43) PDK2PDK4PDK1ACHEHSD17B10
SCHEMBL30881751 0.67 NR4A2 (0.54) PDK2PDK4PDK1CRBNACHE
SCHEMBL24507290 0.66 PDK2 (0.38) PDK2PDK4PDK1ACHEHSD17B10
SCHEMBL29304933 0.66 MAT2A (0.34) PDK2PDK4
SCHEMBL2914480 0.65 MAPT (0.46) ACHEKDM4EHSD17B10MAPT

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
WO-2024099269-A1 ARYLAMIDE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, USE THEREOF 华东师范大学 2024-05-16 WO disclosed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN disclosed