SCHEMBL31158044

SCHEMBL31158044

CCN(C(=O)C1CC1)c1cccc(C(N)=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 5/20 0.40
▸ HTT P42858 2/20 0.40
▸ TP53 P04637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34

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
SCHEMBL21769880 0.75 LMNA (0.40) HTTKDM4ELMNACNR1CNR2
SCHEMBL30356454 0.73 EZH2 (0.46) EZH2
SCHEMBL13280122 0.73 EZH2 (0.46) EZH2
SCHEMBL13451052 0.71 GAA (0.52) TP53KDM4EPARP1CNR2F2
SCHEMBL31158037 0.69 EZH2 (0.39) EZH2HTTKDM4E
SCHEMBL30777398 0.69 PARP1 (0.39) EZH2KDM4EOPRK1KCNH2HTR1A
SCHEMBL39964 0.68 KDM4E (0.52) KDM4EPARP1
SCHEMBL1719653 0.67 KDM4E (0.61) KDM4EHTR1ALMNAPARP1
SCHEMBL31158045 0.67 EZH2 (0.40) EZH2KDM4EOPRK1
SCHEMBL20409103 0.67 EZH2 (0.40) EZH2KDM4EOPRK1

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-118745144-A Novel EZH2 inhibitor compound, and preparation method and application thereof 辽宁大学 2024-10-08 — — CN disclosed
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