SCHEMBL27045683

SCHEMBL27045683

CC(C)C(CC(=O)O)Nc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2cccnc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.45
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ HMGCR P04035 1/20 0.42
▸ ATAD2 Q6PL18 1/20 0.41
▸ XIAP P98170 3/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ CTSA P10619 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL27045590 0.90 PTGS2 (0.46) PTGS2PTGDR2HMGCRATAD2XIAP
SCHEMBL27045689 0.90 PTGS2 (0.51) PTGS2PTGDR2XIAPADORA2AADORA1
SCHEMBL27045686 0.89 PTGS2 (0.40) PTGS2PTGDR2XIAPKDM4EALDH1A1
SCHEMBL27045504 0.87 ALDH1A1 (0.45) PTGS2PTGDR2ATAD2XIAPKDM4E
SCHEMBL27046116 0.85 ATAD2 (0.39) PTGS2ATAD2XIAPADORA3ADORA2A
SCHEMBL27045580 0.81 PTGS2 (0.46) PTGS2PTGDR2ATAD2XIAPDHODH
SCHEMBL27045181 0.80 PTGDR2 (0.42) PTGDR2HMGCRKDM4EALDH1A1POLB
SCHEMBL27045988 0.80 PTGS2 (0.56) PTGS2PTGDR2XIAPADORA2AADORA1
SCHEMBL27045180 0.80 PTGDR2 (0.42) PTGDR2HMGCRKDM4EALDH1A1POLB
SCHEMBL27045819 0.80 PTGDR2 (0.42) PTGDR2HMGCRKDM4EALDH1A1POLB

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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