SCHEMBL28409255

SCHEMBL28409255

CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)C=Cc4ccc(Br)cc4)cn(CCF)c3c2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.56
▸ ALDH1A1 P00352 5/20 0.39
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ GPR183 P32249 6/20 0.37
▸ STAT3 P40763 2/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35

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
SCHEMBL28409251 1.00 KDM4E (0.56) KDM4EALDH1A1HTTMAPK1MEN1
SCHEMBL28412322 0.93 KDM4E (0.58) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28412320 0.93 KDM4E (0.58) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28418044 0.93 KDM4E (0.57) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28418046 0.93 KDM4E (0.57) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28417382 0.93 KDM4E (0.57) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28417380 0.93 KDM4E (0.57) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28421144 0.93 KDM4E (0.66) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28421142 0.93 KDM4E (0.66) KDM4EALDH1A1MAPK1HPGDHSD17B10
SCHEMBL28409442 0.92 KDM4E (0.56) KDM4EALDH1A1MAPK1MEN1LMNA

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-111303025-A N-acetyl fleroxacin propenone derivative and preparation method and application thereof 郑州工业应用技术学院 2020-06-19 — — CN disclosed
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