SCHEMBL25342713

SCHEMBL25342713

O=C(COCCOCCN1C(=O)c2ccccc2C(F)C1=O)NCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 6/20 0.35
▸ KCNH2 Q12809 2/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ GSTP1 P09211 3/20 0.32
▸ GSTM2 P28161 3/20 0.32
▸ FAAH O00519 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL30520943 1.00 MYC (0.35) MYCKCNH2IDO1TDO2GSTP1
SCHEMBL25429997 0.89 MYC (0.40) MYCKCNH2GSTP1GSTM2
SCHEMBL31054036 0.89 MYC (0.40) MYCKCNH2GSTP1GSTM2
SCHEMBL30520753 0.87 IDO1 (0.34) MYCKCNH2IDO1TDO2DPP4
SCHEMBL25342557 0.87 IDO1 (0.34) MYCKCNH2IDO1TDO2DPP4
SCHEMBL25342882 0.84 KCNH2 (0.37) MYCKCNH2IDO1TDO2GSTP1
SCHEMBL30520910 0.84 KCNH2 (0.37) MYCKCNH2IDO1TDO2GSTP1
SCHEMBL25342114 0.83 MYC (0.35) MYCKCNH2IDO1TDO2GSTP1
SCHEMBL30520833 0.83 MYC (0.35) MYCKCNH2IDO1TDO2GSTP1
SCHEMBL25342697 0.81 GSTP1 (0.38) MYCIDO1GSTP1GSTM2

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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