SCHEMBL30768232

SCHEMBL30768232

CC(C)(C)OC(=O)N1CCN(c2ccc3c(=O)n(COCC[Si](C)(C)C)cc(I)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
NR2F2 P24468 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 1/20 0.38
PDK2 Q15119 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL28699335 1.00 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28697181 0.84 LMNA (0.46) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL22747792 0.82 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28702756 0.81 LMNA (0.48) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL2142144 0.79 MAPT (0.42) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL28682374 0.78 GPR119 (0.45) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL2128838 0.78 MAPT (0.43) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL28932211 0.77 LMNA (0.48) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL2143583 0.76 PDK2 (0.40) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL28903414 0.76 MAPT (0.46) SMN1; SMN2LMNAHTTMAPTALDH1A1

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 1 patent. 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