SCHEMBL22747792

SCHEMBL22747792

CC(C)(C)OC(=O)N1CCN(c2ccc3c(=O)n(CC(F)F)cc(I)c3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
NR2F2 P24468 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
PDK2 Q15119 1/20 0.43
TP53 P04637 1/20 0.42
P2RX7 Q99572 2/20 0.41
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C19 P33261 1/20 0.40
SOS1 Q07889 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DDB1 Q16531 1/20 0.39

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
SCHEMBL28697181 0.89 LMNA (0.46) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28702756 0.84 LMNA (0.48) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28932211 0.83 LMNA (0.48) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28682374 0.82 GPR119 (0.45) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL30768232 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28699335 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL28677826 0.76 MAPT (0.48) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL30776728 0.72 LMNA (0.49) SMN1; SMN2LMNAHTTNPC1NR2F2
SCHEMBL20159003 0.72 MAPT (0.59) SMN1; SMN2LMNAHTTMAPTALDH1A1
SCHEMBL3050675 0.71 LMNA (0.46) SMN1; SMN2LMNAHTTNPC1NR2F2

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-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
WO-2020244539-A1 PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2020-12-10 WO disclosed