SCHEMBL27045181

SCHEMBL27045181

CC(C)[C@@H](CC(=O)O)Nc1nc(-c2ccc(-c3ccc(F)cc3)cc2)c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HMGCR P04035 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
SCHEMBL27045180 1.00 PTGDR2 (0.42) PTGDR2ALDH1A1PKMHTTKMT2A
SCHEMBL27045819 1.00 PTGDR2 (0.42) PTGDR2ALDH1A1PKMHTTKMT2A
SCHEMBL27045699 0.89 PTGDR2 (0.43) PTGDR2ALDH1A1PKMHTTKMT2A
SCHEMBL27045689 0.85 PTGS2 (0.51) PTGDR2ALDH1A1KMT2AADAMTS4MEN1
SCHEMBL27045686 0.82 PTGS2 (0.40) PTGDR2ALDH1A1PKMKMT2AADAMTS4
SCHEMBL27045683 0.80 PTGS2 (0.45) PTGDR2ALDH1A1KMT2APOLBKDM4E
SCHEMBL27045822 0.77 LMNA (0.54) ALDH1A1HTTKMT2AMEN1KDM4E
SCHEMBL27045589 0.77 ALDH1A1 (0.41) PTGDR2ALDH1A1PKMHTTKMT2A
SCHEMBL27045988 0.73 PTGS2 (0.56) PTGDR2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL27045812 0.73 EGLN2 (0.42) PTGDR2ALDH1A1PKMHTTKMT2A

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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