SCHEMBL30028839

SCHEMBL30028839

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PDE5A O76074 4/20 0.33
▸ PDE6D O43924 1/20 0.33
▸ PDE6A P16499 1/20 0.33
▸ PDE6G P18545 1/20 0.33
▸ PDE6B P35913 1/20 0.33
▸ PDE6C P51160 1/20 0.33
▸ PDE6H Q13956 1/20 0.33
▸ VSIR Q9H7M9 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
SCHEMBL28896633 1.00 MAPT (0.35) MAPTKDM4ETSHRSMN1; SMN2CCNT1
SCHEMBL28896305 0.88 CCNT1 (0.37) MAPTKDM4ETSHRSMN1; SMN2CCNT1
SCHEMBL30028600 0.88 CCNT1 (0.37) MAPTKDM4ETSHRSMN1; SMN2CCNT1
SCHEMBL28896630 0.84 TSHR (0.35) MAPTTSHRSMN1; SMN2LMNAUSP2
SCHEMBL28896655 0.80 MDM2 (0.32) MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL30029534 0.80 MDM2 (0.32) MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL28896304 0.80 TSHR (0.35) MAPTTSHRSMN1; SMN2LMNAUSP2
SCHEMBL28896259 0.72 TSHR (0.43) MAPTKDM4ETSHRSMN1; SMN2LMNA
SCHEMBL30028198 0.72 TSHR (0.43) MAPTKDM4ETSHRSMN1; SMN2LMNA
SCHEMBL28896549 0.68 KDM4E (0.40) MAPTKDM4ELMNAALDH1A1HSD17B10

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-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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