SCHEMBL24963003

SCHEMBL24963003

CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.53
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
EGLN2 Q96KS0 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
STS P08842 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 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
SCHEMBL82779 0.81 MAPT (0.50) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL25003025 0.80 MEN1 (0.50) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL27213590 0.79 GPR119 (0.48) GPR119ALDH1A1L3MBTL1
SCHEMBL63640 0.79 ALDH1A1 (0.48) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL65161 0.79 LMNA (0.48) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL21538680 0.78 ALDH1A1 (0.47) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL4588281 0.78 GPR119 (0.48) GPR119EGLN2CKS1BSKP1SKP2
SCHEMBL63589 0.77 NR1H2 (0.48) GPR119ALDH1A1MAPTLMNAMEN1
SCHEMBL6486928 0.76 GPR119 (0.46) GPR119
SCHEMBL2471189 0.75 MAPT (0.62) GPR119ALDH1A1MAPTLMNAEGLN2

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
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO disclosed