SCHEMBL30570719

SCHEMBL30570719

CCn1ccc(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.53
▸ DRD3 P35462 1/20 0.51
▸ KDM4E B2RXH2 8/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ PIK3CG P48736 4/20 0.50
▸ HTT P42858 3/20 0.50
▸ PIK3CD O00329 3/20 0.50
▸ PIK3R1 P27986 3/20 0.50
▸ PIK3CA P42336 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAD52 P43351 1/20 0.48

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
SCHEMBL29053157 1.00 HSD17B10 (0.53) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL7263223 0.88 HSD17B10 (0.51) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL4241160 0.86 DRD3 (0.60) DRD3KDM4EALDH1A1MEN1KMT2A
SCHEMBL7262142 0.82 HSD17B10 (0.61) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL30539981 0.82 HSD17B10 (0.61) HSD17B10DRD3KDM4EALDH1A1MEN1
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL11027379 0.79 HSD17B10 (0.83) HSD17B10DRD3KDM4EALDH1A1MEN1
4-N-Acetyl-1-Piperazinyl-Norfloxacin SCHEMBL30570718 0.79 HSD17B10 (0.83) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL28559532 0.77 HSD17B10 (0.58) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL7262101 0.77 GAA (0.42) HSD17B10DRD3KDM4EALDH1A1MEN1
SCHEMBL12877362 0.77 KDM4E (0.52) HSD17B10KDM4EALDH1A1MEN1KMT2A

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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