SCHEMBL27045994

SCHEMBL27045994

CC(CNc1nc(-c2ccc(-c3cnco3)cc2)c(-c2cccnc2)s1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 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
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADRB3 P13945 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ GFER P55789 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
▸ NCOA1 Q15788 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
SCHEMBL27045997 0.93 PTGS2 (0.50) PTGS2XIAPADORA2AADORA1ADORA3
SCHEMBL27045996 0.90 PTGS2 (0.41) PTGS2XIAPADORA2AADORA1KDM4E
SCHEMBL27045841 0.88 PTGS2 (0.39) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27045580 0.85 PTGS2 (0.46) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27046353 0.84 PTGS2 (0.42) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27046002 0.84 PTGS2 (0.42) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27045441 0.83 PTGS2 (0.47) PTGS2ATAD2XIAPKDM4EALDH1A1
SCHEMBL27046116 0.82 ATAD2 (0.39) PTGS2ATAD2XIAPADORA2AADORA1
SCHEMBL27049052 0.82 PTGS2 (0.51) PTGS2XIAPADORA2AADORA1ADORA3
SCHEMBL27045989 0.81 PTGS2 (0.41) PTGS2ADORA2AADORA1ADORA3ADORA2B

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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