SCHEMBL30521024

SCHEMBL30521024

O=C(CN1CCC(N2C(=O)c3ccccc3C(F)C2=O)CC1)NCCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ MYC P01106 2/20 0.33
▸ CCR3 P51677 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ MAPK1 P28482 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
SCHEMBL25343085 1.00 KCNH2 (0.35) KCNH2MEN1KMT2AGSTP1GSTM2
SCHEMBL25429997 0.82 MYC (0.40) KCNH2GSTP1GSTM2MYCALDH1A1
SCHEMBL31054036 0.82 MYC (0.40) KCNH2GSTP1GSTM2MYCALDH1A1
SCHEMBL25342713 0.80 MYC (0.35) KCNH2GSTP1GSTM2MYCIDO1
SCHEMBL30520943 0.80 MYC (0.35) KCNH2GSTP1GSTM2MYCIDO1
SCHEMBL25342882 0.80 KCNH2 (0.37) KCNH2GSTP1GSTM2MYCALDH1A1
SCHEMBL30520910 0.80 KCNH2 (0.37) KCNH2GSTP1GSTM2MYCALDH1A1
SCHEMBL31054006 0.72 GSTP1 (0.53) KCNH2MEN1KMT2AGSTP1GSTM2
SCHEMBL25342557 0.69 IDO1 (0.34) KCNH2MEN1KMT2AMYCALDH1A1
SCHEMBL30520753 0.69 IDO1 (0.34) KCNH2MEN1KMT2AMYCALDH1A1

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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