SCHEMBL30520910

SCHEMBL30520910

O=C(COc1ccc(N2C(=O)c3ccccc3C(F)C2=O)cc1)NCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ MAPT P10636 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MYC P01106 4/20 0.33
▸ FAAH O00519 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ BCHE P06276 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ GSTP1 P09211 1/20 0.31
▸ GSTM2 P28161 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL25342882 1.00 KCNH2 (0.37) KCNH2MAPTLMNAKDM4EMYC
SCHEMBL25342713 0.84 MYC (0.35) KCNH2MAPTMYCFAAHACHE
SCHEMBL30520943 0.84 MYC (0.35) KCNH2MAPTMYCFAAHACHE
SCHEMBL25429997 0.82 MYC (0.40) KCNH2MYCGSTP1GSTM2ALDH1A1
SCHEMBL31054036 0.82 MYC (0.40) KCNH2MYCGSTP1GSTM2ALDH1A1
SCHEMBL25343085 0.80 KCNH2 (0.35) KCNH2KDM4EMYCFAAHACHE
SCHEMBL30521024 0.80 KCNH2 (0.35) KCNH2KDM4EMYCFAAHACHE
SCHEMBL31054006 0.72 GSTP1 (0.53) KCNH2MAPTMYCIDO1TDO2
SCHEMBL25342557 0.71 IDO1 (0.34) KCNH2KDM4EMYCIDO1TDO2
SCHEMBL30520753 0.71 IDO1 (0.34) KCNH2KDM4EMYCIDO1TDO2

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
WO-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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