SCHEMBL29053188

SCHEMBL29053188

CCn1cc(C(=O)n2ccnc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ HSD17B10 Q99714 3/20 0.59
▸ DRD3 P35462 1/20 0.57
▸ PIK3CG P48736 5/20 0.56
▸ GAA P10253 2/20 0.54
▸ RAD52 P43351 1/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ KMT2A Q03164 6/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ HPGD P15428 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ BRD4 O60885 1/20 0.54
▸ CYP2J2 P51589 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PIK3CD O00329 3/20 0.53

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
SCHEMBL28556326 0.89 KDM4E (0.70) KDM4EALDH1A1HSD17B10DRD3PIK3CG
SCHEMBL28700344 0.85 KDM4E (0.71) KDM4EALDH1A1HSD17B10PIK3CGHPGD
SCHEMBL28563278 0.85 HSD17B10 (0.55) KDM4EALDH1A1HSD17B10DRD3PIK3CG
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL30570718 0.83 HSD17B10 (0.83) KDM4EALDH1A1HSD17B10DRD3PIK3CG
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL11027379 0.83 HSD17B10 (0.83) KDM4EALDH1A1HSD17B10DRD3PIK3CG
SCHEMBL28423003 0.79 KDM4E (0.71) KDM4EALDH1A1HSD17B10PIK3CGHPGD
SCHEMBL28414785 0.79 KDM4E (0.59) KDM4EALDH1A1HSD17B10DRD3PIK3CG
SCHEMBL22698592 0.78 HSD17B10 (0.84) KDM4EALDH1A1HSD17B10DRD3PIK3CG
SCHEMBL1243569 0.78 MEN1 (0.68) KDM4EALDH1A1HSD17B10DRD3PIK3CG
SCHEMBL28559532 0.77 HSD17B10 (0.58) KDM4EALDH1A1HSD17B10DRD3GAA

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-112824389-B Acrylic ketone derivative of N-acetylnorfloxacin and preparation method and application thereof 河南大学 2023-08-15 — — CN disclosed
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