SCHEMBL28896305

SCHEMBL28896305

CCOC(=O)c1[nH]cc(C)c1NCc1ccc(Cl)c(NCC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PDE5A O76074 3/20 0.34
▸ PDE6D O43924 1/20 0.34
▸ PDE6A P16499 1/20 0.34
▸ PDE6G P18545 1/20 0.34
▸ PDE6B P35913 1/20 0.34
▸ PDE6C P51160 1/20 0.34
▸ PDE6H Q13956 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL30028600 1.00 CCNT1 (0.37) CCNT1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL28896633 0.88 MAPT (0.35) CCNT1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL30028839 0.88 MAPT (0.35) CCNT1MAPTTSHRSMN1; SMN2KDM4E
SCHEMBL28896304 0.81 TSHR (0.35) MAPTTSHRSMN1; SMN2PDE5APDE6D
SCHEMBL28896630 0.80 TSHR (0.35) MAPTTSHRSMN1; SMN2PDE5APDE6D
SCHEMBL30028927 0.80 KDM4E (0.32) MAPTTSHRSMN1; SMN2KDM4ECYP4F2
SCHEMBL28896458 0.80 KDM4E (0.32) MAPTTSHRSMN1; SMN2KDM4ECYP4F2
SCHEMBL28896549 0.69 KDM4E (0.40) MAPTKDM4ELMNAHPGDALDH1A1
SCHEMBL28896259 0.68 TSHR (0.43) MAPTTSHRSMN1; SMN2KDM4ECYP4F2
SCHEMBL30028198 0.68 TSHR (0.43) MAPTTSHRSMN1; SMN2KDM4ECYP4F2

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
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