SCHEMBL27045986

SCHEMBL27045986

CC(CC(=O)O)Nc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2cncnc2)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.43
▸ PTGDR2 Q9Y5Y4 6/20 0.40
▸ XIAP P98170 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ ACHE P22303 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL27045686 0.90 PTGS2 (0.40) PTGS2PTGDR2XIAPALDH1A1PKM
SCHEMBL27045590 0.89 PTGS2 (0.46) PTGS2PTGDR2XIAPALDH1A1KMT2A
SCHEMBL27045988 0.88 PTGS2 (0.56) PTGS2PTGDR2XIAPALDH1A1KMT2A
SCHEMBL27045496 0.85 PTGS2 (0.48) PTGS2PTGDR2XIAPALDH1A1KMT2A
SCHEMBL27046007 0.84 PTGS2 (0.41) PTGS2XIAPALDH1A1PKMKMT2A
SCHEMBL27045699 0.81 PTGDR2 (0.43) PTGDR2ALDH1A1PKMFFAR1KMT2A
SCHEMBL27045983 0.81 PTGS2 (0.43) PTGS2PTGDR2XIAPALDH1A1PKM
SCHEMBL27049755 0.80 PTGS2 (0.36) PTGS2XIAPALDH1A1PKMACHE
SCHEMBL27045683 0.79 PTGS2 (0.45) PTGS2PTGDR2XIAPALDH1A1KMT2A
SCHEMBL27045689 0.78 PTGS2 (0.51) PTGS2PTGDR2XIAPALDH1A1KMT2A

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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