SCHEMBL28896258

SCHEMBL28896258

CCOC(=O)c1[nH]ccc1NCC(CNC(=O)OC(C)(C)C)OC(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
SERPINE1 P05121 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
SYK P43405 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
JAK1 P23458 2/20 0.33
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RECQL P46063 1/20 0.30
PCSK9 Q8NBP7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28896256 0.87 MAPT (0.36) MAPTKDM4ENPSR1SERPINE1TDP1
SCHEMBL28896575 0.83 LMNA (0.33) MAPTKDM4EL3MBTL1ALDH1A1LMNA
SCHEMBL28896499 0.80 SYK (0.38) MAPTKDM4ENPSR1SERPINE1TDP1
SCHEMBL28896381 0.79 KDM4E (0.33) MAPTKDM4ENPSR1SERPINE1TDP1
SCHEMBL28896498 0.77 SYK (0.38) MAPTKDM4ENPSR1SERPINE1TDP1
SCHEMBL28896541 0.75 AAK1 (0.45) MAPTKDM4ENPSR1TDP1SYK
SCHEMBL28896542 0.75 AAK1 (0.45) MAPTKDM4ENPSR1TDP1SYK
SCHEMBL28896489 0.75 SMN1; SMN2 (0.37) MAPTKDM4ENPSR1TDP1L3MBTL1
SCHEMBL4393322 0.74 KDM4E (0.41) MAPTKDM4ENPSR1L3MBTL1ALDH1A1
SCHEMBL28896573 0.72 KDM4E (0.34) KDM4ENPSR1ALDH1A1LMNASMN1; SMN2

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-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 CN disclosed