SCHEMBL27045580

SCHEMBL27045580

CC(CNc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2cccnc2)s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.46
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ ATAD2 Q6PL18 1/20 0.42
▸ XIAP P98170 3/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ KLKB1 P03952 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ F2 P00734 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL27045984 0.90 PTGS2 (0.56) PTGS2PTGDR2XIAPADORA2AADORA1
SCHEMBL27045983 0.89 PTGS2 (0.43) PTGS2PTGDR2XIAPMAPTKDM4E
SCHEMBL27045675 0.87 PTGS2 (0.43) PTGS2PTGDR2ATAD2XIAPADORA3
SCHEMBL27045441 0.87 PTGS2 (0.47) PTGS2PTGDR2ATAD2XIAPMAPT
SCHEMBL27045994 0.85 PTGS2 (0.42) PTGS2ATAD2XIAPADORA3ADORA2A
SCHEMBL27045811 0.82 PTGS2 (0.46) PTGS2PTGDR2ADORA3ADORA2AADORA1
SCHEMBL27045590 0.82 PTGS2 (0.46) PTGS2PTGDR2ATAD2XIAPADORA3
SCHEMBL27045683 0.81 PTGS2 (0.45) PTGS2PTGDR2ATAD2XIAPADORA3
SCHEMBL27046426 0.80 ALDH1A1 (0.56) PTGDR2XIAPMAPTKDM4EALDH1A1
SCHEMBL27045589 0.79 ALDH1A1 (0.41) PTGS2PTGDR2XIAPKDM4EALDH1A1

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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