SCHEMBL28697181

SCHEMBL28697181

CCn1cc(I)c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
PDK2 Q15119 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
NAMPT P43490 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
P2RX7 Q99572 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL22747792 0.89 SMN1; SMN2 (0.44) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL28702756 0.86 LMNA (0.48) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL28682374 0.85 GPR119 (0.45) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL30768232 0.84 SMN1; SMN2 (0.41) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL28699335 0.84 SMN1; SMN2 (0.41) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL28932211 0.84 LMNA (0.48) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL28677826 0.78 MAPT (0.48) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL30768240 0.77 PARP1 (0.42) GPR119
SCHEMBL31324002 0.76 ALDH1A1 (0.47) LMNAMAPTALDH1A1PDK2SMN1; SMN2
SCHEMBL5706238 0.76 KDM4E (0.53) LMNAMAPTALDH1A1SMN1; SMN2HTT

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-113874354-B Pyridone derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-02-20 CN disclosed
CN-113874354-A Pyridone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-12-31 CN disclosed