SCHEMBL28628837

SCHEMBL28628837

Cc1cnccc1CN(C(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
KDM4C Q9H3R0 4/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20567938 0.85 MEN1 (0.39) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL17371937 0.77 MEN1 (0.50) ALDH1A1POLBMAPTLMNAMEN1
SCHEMBL13285102 0.75 SLC6A4 (0.48) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL3249923 0.72 GBA1 (0.36) POLBKDM4EMEN1HTTKMT2A
SCHEMBL8746918 0.72 NAPRT (0.47) MAPTKDM4EGPR119KDM4CSIRT3
SCHEMBL1362512 0.71 LMNA (0.46) ALDH1A1POLBMAPTLMNAMEN1
SCHEMBL1041865 0.70 TDP1 (0.39) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL5514821 0.70 KMT2A (0.48) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL27140406 0.70 DAGLA (0.40) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL23391421 0.69 BRD4 (0.40) KDM4E

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-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN disclosed