SCHEMBL28559532

SCHEMBL28559532

CCn1cc(CC=O)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.58
▸ DRD3 P35462 1/20 0.56
▸ GAA P10253 2/20 0.53
▸ RAD52 P43351 1/20 0.53
▸ KDM4E B2RXH2 9/20 0.53
▸ MEN1 O00255 8/20 0.53
▸ KMT2A Q03164 8/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ ALDH1A1 P00352 8/20 0.52
▸ HPGD P15428 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ CYP2J2 P51589 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL28558341 0.85 KDM4E (0.66) HSD17B10DRD3GAARAD52KDM4E
SCHEMBL28706094 0.84 KDM4E (0.69) HSD17B10KDM4EALDH1A1HPGDLMNA
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL30570718 0.82 HSD17B10 (0.83) HSD17B10DRD3KDM4EMEN1KMT2A
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL11027379 0.82 HSD17B10 (0.83) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL28563278 0.77 HSD17B10 (0.55) HSD17B10DRD3GAARAD52KDM4E
SCHEMBL29053188 0.77 KDM4E (0.60) HSD17B10DRD3GAARAD52KDM4E
SCHEMBL29053157 0.77 HSD17B10 (0.53) HSD17B10DRD3GAARAD52KDM4E
SCHEMBL30570719 0.77 HSD17B10 (0.53) HSD17B10DRD3GAARAD52KDM4E
SCHEMBL28557557 0.76 KDM4E (0.62) HSD17B10DRD3KDM4EMEN1KMT2A
SCHEMBL28574704 0.76 KDM4E (0.61) HSD17B10DRD3GAARAD52KDM4E

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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