SCHEMBL30528214

SCHEMBL30528214

CCc1cc(=O)c2cc(F)c(N3CCN(C(C)=O)C(C)C3)c(F)c2n1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PMP22 Q01453 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ CSNK1G1 Q9HCP0 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CHRM4 P08173 2/20 0.33
▸ CHRM2 P08172 1/20 0.33

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
SCHEMBL28581650 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL30528212 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL30532083 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL30564284 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL28588152 0.74 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL30528211 0.70 MAPT (0.38) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL28587261 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL29048395 0.68 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30564180 0.68 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10758373 0.68 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22

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-112824396-B Acrylic ketone derivative of N-acetyl lomefloxacin and preparation method and application thereof 河南大学 2023-08-11 — — CN disclosed
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