SCHEMBL28574704

SCHEMBL28574704

CCn1cc(C(=O)/C=C/c2ccc(F)cc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.61
▸ HSD17B10 Q99714 3/20 0.58
▸ DRD3 P35462 1/20 0.56
▸ HTT P42858 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ CYP2J2 P51589 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ USP2 O75604 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ PIK3CD O00329 1/20 0.54
▸ PIK3R1 P27986 1/20 0.54
▸ PIK3CA P42336 1/20 0.54

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
SCHEMBL28574706 1.00 KDM4E (0.61) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28566039 0.94 HSD17B10 (0.57) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28913289 0.94 HSD17B10 (0.57) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28566041 0.94 HSD17B10 (0.57) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28913290 0.94 HSD17B10 (0.57) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28569129 0.93 KDM4E (0.62) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28562752 0.93 PIK3CG (0.59) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28569128 0.93 KDM4E (0.62) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28562751 0.93 PIK3CG (0.59) KDM4EHSD17B10DRD3HTTALDH1A1
SCHEMBL28557557 0.93 KDM4E (0.62) KDM4EHSD17B10DRD3HTTALDH1A1

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-112824389-B Acrylic ketone derivative of N-acetylnorfloxacin and preparation method and application thereof 河南大学 2023-08-15 — — CN disclosed
CN-112824389-A Acrylone derivative of N-acetylnorfloxacin, and preparation method and application thereof 河南大学 2021-05-21 — — CN disclosed
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