SCHEMBL28927897

SCHEMBL28927897

CC(C)(C)OC(=O)NC=Nc1ccc(CN2CCn3nccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ CYP4Z1 Q86W10 3/20 0.33
▸ SIRT1 Q96EB6 2/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SCD O00767 1/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18960796 0.78 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC8NCOR2
SCHEMBL28658270 0.75 PCSK9 (0.35) HDAC1HDAC6HDAC3HDAC8NCOR2
SCHEMBL5731726 0.73 CYP4Z1 (0.44) CYP4Z1MAPTSMN1; SMN2CYP17A1CYP4F11
SCHEMBL5731731 0.73 CYP4Z1 (0.44) CYP4Z1MAPTSMN1; SMN2CYP17A1CYP4F11
SCHEMBL2524679 0.70 DRD2 (0.47) DRD2
SCHEMBL16443611 0.69 MIF (0.52) CYP4Z1KMT2AMEN1KDM4EMAPT
SCHEMBL3694163 0.67 ADRA2A (0.42) KMT2ALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3694161 0.67 ADRA2A (0.42) KMT2ALMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL18952166 0.65 HDAC1 (0.38) HDAC1HDAC6HDAC3HDAC8NCOR2
SCHEMBL22634155 0.64 CA12 (0.45) CYP4Z1CYP1A2CYP2C19CYP4F11CYP4F12

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-108463461-B Cephem compounds, their preparation and use 奈加-RGM制药有限公司 2021-11-19 — — CN disclosed
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