SCHEMBL5724627

SCHEMBL5724627

CC(C)(C)OC(=O)C(Oc1cc(S(C)(=O)=O)ccc1C(=O)Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 14/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ KIF18A Q8NI77 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL4270026 0.96 F10 (0.40) F10IRAK4KIF18AIRAK1RXFP1
SCHEMBL4270700 0.94 F10 (0.41) F10IRAK4KIF18ARXFP1KDM4E
SCHEMBL5724573 0.86 F10 (0.38) F10RXFP1KDM4E
SCHEMBL4269020 0.86 IRAK4 (0.49) F10IRAK4IRAK1KDM4ENPC1
Hydrochloric Acid SCHEMBL4269636 0.85 IRAK4 (0.49) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL5724434 0.85 F10 (0.37) F10IRAK4IRAK1RXFP1NPC1
SCHEMBL4269145 0.83 F10 (0.45) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL4269132 0.83 F10 (0.45) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL4277311 0.83 F10 (0.45) F10IRAK4IRAK1KDM4ENPC1
SCHEMBL5724779 0.83 F10 (0.38) F10KDM4ENPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644334-A1 ANTITHROMBOTIC ETHERS Eli Lilly and Company (US) 2006-04-12 — — EP disclosed
WO-2004108677-A1 ANTITHROMBOTIC ETHERS ELI LILLY AND COMPANY (US) 2004-12-16 — — WO disclosed
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