SCHEMBL28557557

SCHEMBL28557557

CCn1cc(C(=O)C=Cc2ccccc2)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 10/20 0.62
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ HTT P42858 3/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPT P10636 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ DRD3 P35462 1/20 0.58
▸ PIK3CD O00329 1/20 0.58
▸ PIK3R1 P27986 1/20 0.58
▸ PIK3CA P42336 1/20 0.58
▸ PIK3CG P48736 1/20 0.58
▸ BRD4 O60885 1/20 0.58
▸ CYP2J2 P51589 1/20 0.58

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
SCHEMBL28557555 1.00 KDM4E (0.62) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28574704 0.93 KDM4E (0.61) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28574706 0.93 KDM4E (0.61) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28566039 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28566041 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28913290 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28913289 0.92 HSD17B10 (0.57) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28562752 0.92 PIK3CG (0.59) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28569129 0.92 KDM4E (0.62) KDM4EMEN1KMT2AHTTHSD17B10
SCHEMBL28562751 0.92 PIK3CG (0.59) KDM4EMEN1KMT2AHTTHSD17B10

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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