SCHEMBL27045449

SCHEMBL27045449

CC(CC(=O)O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2cccnc2)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PTGDR2 Q9Y5Y4 8/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ XIAP P98170 3/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ ATAD2 Q6PL18 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40

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) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045504 0.91 ALDH1A1 (0.45) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045496 0.90 PTGS2 (0.48) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045590 0.87 PTGS2 (0.46) PTGS2ALDH1A1MAPTKMT2APTGDR2
SCHEMBL27046002 0.83 PTGS2 (0.42) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045441 0.83 PTGS2 (0.47) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045568 0.81 MAPT (0.53) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045503 0.79 PTGS2 (0.47) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045382 0.78 PTGS2 (0.44) PTGS2ALDH1A1MEN1MAPTKMT2A
SCHEMBL27045988 0.78 PTGS2 (0.56) PTGS2ALDH1A1MEN1MAPTKMT2A

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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