SCHEMBL28558341

SCHEMBL28558341

CCn1cc(CC=O)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.66
▸ ALDH1A1 P00352 6/20 0.66
▸ HSD17B10 Q99714 5/20 0.66
▸ HPGD P15428 5/20 0.66
▸ LMNA P02545 4/20 0.66
▸ BRD4 O60885 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ CYP2J2 P51589 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ DRD3 P35462 1/20 0.51
▸ GAA P10253 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ RAD52 P43351 1/20 0.48
▸ THRB P10828 4/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL29724104 0.85 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL13576340 0.85 KDM4E (0.69) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL28559532 0.85 HSD17B10 (0.58) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL11997101 0.83 KDM4E (0.64) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10048249 0.83 KDM4E (0.72) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL28564270 0.82 KDM4E (0.65) KDM4EALDH1A1HSD17B10HPGDLMNA
Norfloxacin SCHEMBL3473 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL10028896 0.80 KDM4E (0.84) KDM4EALDH1A1HSD17B10HPGDLMNA
Norfloxacin SCHEMBL2221304 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDLMNA
Norfloxacin SCHEMBL27395494 0.80 ALDH1A1 (1.00) KDM4EALDH1A1HSD17B10HPGDLMNA

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-112824388-B Acrylic ketone derivative of norfloxacin and preparation method and application thereof 河南大学 2023-08-11 — — CN disclosed
CN-112824388-A Acrylic ketone derivative of norfloxacin, and preparation method and application thereof 河南大学 2021-05-21 — — CN disclosed
Send feedback