SCHEMBL28415523

SCHEMBL28415523

CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)C=Cc2ccc(F)cc2)cn3C2CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ HSD17B10 Q99714 2/20 0.70
▸ MAPT P10636 1/20 0.70
▸ TOP2B Q02880 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ TOP2A P11388 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ PIK3CD O00329 3/20 0.48
▸ PIK3R1 P27986 3/20 0.48
▸ PIK3CA P42336 3/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ TP53 P04637 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ CASP9 P55211 1/20 0.47

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
SCHEMBL28415522 1.00 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28420643 0.94 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28415689 0.94 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28415691 0.94 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28420641 0.94 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28417666 0.94 ALDH1A1 (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28417665 0.94 ALDH1A1 (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28893645 0.93 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28893647 0.93 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL28427346 0.92 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDHSD17B10

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-111303026-A Propenone derivative of enrofloxacin 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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