SCHEMBL27045689

SCHEMBL27045689

CC(C)C(CC(=O)O)Nc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(-c2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.51
▸ XIAP P98170 3/20 0.50
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PTGDR2 Q9Y5Y4 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ADAMTS4 O75173 1/20 0.44
▸ ADORA2A P29274 3/20 0.42
▸ ADORA1 P30542 3/20 0.42

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
SCHEMBL27045683 0.90 PTGS2 (0.45) PTGS2XIAPKMT2AALDH1A1MAPT
SCHEMBL27045988 0.89 PTGS2 (0.56) PTGS2XIAPKMT2AMEN1ALDH1A1
SCHEMBL27045686 0.89 PTGS2 (0.40) PTGS2XIAPKMT2AMEN1ALDH1A1
SCHEMBL27045568 0.86 MAPT (0.53) PTGS2XIAPKMT2AMEN1ALDH1A1
SCHEMBL27045181 0.85 PTGDR2 (0.42) KMT2AMEN1ALDH1A1PTGDR2KDM4E
SCHEMBL27045180 0.85 PTGDR2 (0.42) KMT2AMEN1ALDH1A1PTGDR2KDM4E
SCHEMBL27045819 0.85 PTGDR2 (0.42) KMT2AMEN1ALDH1A1PTGDR2KDM4E
SCHEMBL27046124 0.82 PTGS2 (0.46) PTGS2XIAPKMT2AMEN1ALDH1A1
SCHEMBL27045583 0.82 MEN1 (0.36) PTGS2XIAPKMT2AMEN1PTGDR2
SCHEMBL27045590 0.80 PTGS2 (0.46) PTGS2XIAPKMT2AALDH1A1MAPT

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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