SCHEMBL27046002

SCHEMBL27046002

CC(CC(=O)O)Nc1nc(-c2ccc(-c3cnco3)cc2)c(-c2cccnc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.42
▸ ATAD2 Q6PL18 1/20 0.40
▸ XIAP P98170 3/20 0.39
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 4/20 0.39
▸ KDM4E B2RXH2 6/20 0.39
▸ GFER P55789 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37

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
SCHEMBL27046008 0.93 PTGS2 (0.50) PTGS2XIAPADORA2AADORA1KDM4E
SCHEMBL27046116 0.91 ATAD2 (0.39) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27046007 0.90 PTGS2 (0.41) PTGS2XIAPADORA2AADORA1KDM4E
SCHEMBL27045590 0.85 PTGS2 (0.46) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27045994 0.84 PTGS2 (0.42) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27045449 0.83 PTGS2 (0.47) PTGS2ATAD2XIAPKDM4EALDH1A1
SCHEMBL27046124 0.83 PTGS2 (0.46) PTGS2XIAPADORA2AADORA1KDM4E
SCHEMBL27046121 0.81 AAK1 (0.38) PTGS2XIAPADORA2AADORA1KDM4E
SCHEMBL27046353 0.80 PTGS2 (0.42) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27045841 0.79 PTGS2 (0.39) PTGS2ATAD2XIAPADORA2AADORA1

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
EP-3846793-B1 EIF4E INHIBITORS AND USES THEREOF PIC THERAPEUTICS INC (US) 2024-01-24 — — EP disclosed
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