SCHEMBL28563278

SCHEMBL28563278

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.55
▸ DRD3 P35462 1/20 0.52
▸ KMT2A Q03164 7/20 0.50
▸ MEN1 O00255 6/20 0.50
▸ GAA P10253 2/20 0.50
▸ PIK3CG P48736 2/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ RAD52 P43351 1/20 0.50
▸ KDM4E B2RXH2 9/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ CYP2J2 P51589 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL29053188 0.85 KDM4E (0.60) HSD17B10DRD3KMT2AMEN1GAA
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL11027379 0.79 HSD17B10 (0.83) HSD17B10DRD3KMT2AMEN1PIK3CG
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL30570718 0.79 HSD17B10 (0.83) HSD17B10DRD3KMT2AMEN1PIK3CG
SCHEMBL9700859 0.77 DRD3 (0.61) HSD17B10DRD3KMT2AMEN1GAA
SCHEMBL28559532 0.77 HSD17B10 (0.58) HSD17B10DRD3KMT2AMEN1GAA
SCHEMBL30570719 0.76 HSD17B10 (0.53) HSD17B10DRD3KMT2AMEN1GAA
SCHEMBL29053157 0.76 HSD17B10 (0.53) HSD17B10DRD3KMT2AMEN1GAA
SCHEMBL26193950 0.75 DRD3 (0.60) HSD17B10DRD3KMT2AMEN1GAA
SCHEMBL28566577 0.73 KDM4E (0.56) HSD17B10DRD3KMT2AMEN1PIK3CG
SCHEMBL28556326 0.73 KDM4E (0.70) HSD17B10DRD3KMT2AMEN1GAA

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-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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