SCHEMBL28569128

SCHEMBL28569128

CCn1cc(C(=O)/C=C/c2ccc(Br)cc2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ KMT2A Q03164 6/20 0.62
▸ HTT P42858 5/20 0.62
▸ ALDH1A1 P00352 5/20 0.62
▸ LMNA P02545 3/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ PIK3CD O00329 2/20 0.59
▸ PIK3R1 P27986 2/20 0.59
▸ PIK3CA P42336 2/20 0.59
▸ PIK3CG P48736 2/20 0.59
▸ HPGD P15428 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.56
▸ POLB P06746 1/20 0.55
▸ DRD3 P35462 1/20 0.54
▸ TSHR P16473 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

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
SCHEMBL28569129 1.00 KDM4E (0.62) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28574706 0.93 KDM4E (0.61) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28574704 0.93 KDM4E (0.61) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28566039 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28566041 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28913290 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28913289 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28562752 0.92 PIK3CG (0.59) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28557557 0.92 KDM4E (0.62) KDM4EMEN1KMT2AHTTALDH1A1
SCHEMBL28557555 0.92 KDM4E (0.62) KDM4EMEN1KMT2AHTTALDH1A1

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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