SCHEMBL27045496

SCHEMBL27045496

CC(CC(=O)O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2cncnc2)s1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.48
▸ PTGDR2 Q9Y5Y4 11/20 0.45
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ XIAP P98170 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL27045499 0.91 PTGS2 (0.56) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045449 0.90 PTGS2 (0.47) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045986 0.85 PTGS2 (0.43) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045515 0.82 PTGS2 (0.46) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045443 0.82 PTGS2 (0.48) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27046007 0.82 PTGS2 (0.41) PTGS2MAPTALDH1A1MEN1KMT2A
SCHEMBL27045504 0.81 ALDH1A1 (0.45) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045568 0.81 MAPT (0.53) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27046261 0.78 PTGS2 (0.48) PTGS2PTGDR2MAPTALDH1A1MEN1
SCHEMBL27045988 0.77 PTGS2 (0.56) PTGS2PTGDR2MAPTALDH1A1MEN1

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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