SCHEMBL5724573

SCHEMBL5724573

CCS(=O)(=O)c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC(C(=O)OC(C)(C)C)C2CCCNC2)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR6 P50406 1/20 0.33

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 0.90 F10 (0.40) F10RXFP1KDM4EHTR6
SCHEMBL5724779 0.90 F10 (0.38) F10KDM4E
SCHEMBL5724269 0.89 F10 (0.36) F10RXFP1KDM4E
SCHEMBL5724546 0.88 NPC1 (0.47) F10RXFP1KDM4EALDH1A1
SCHEMBL4270700 0.88 F10 (0.41) F10RXFP1KDM4E
SCHEMBL5724627 0.86 F10 (0.41) F10RXFP1KDM4E
SCHEMBL13608819 0.83 IRAK4 (0.44) F10RXFP1KDM4E
SCHEMBL5200573 0.83 F10 (0.42) F10
SCHEMBL4280035 0.82 NPC1 (0.50) F10RXFP1KDM4EALDH1A1
SCHEMBL4268854 0.82 IRAK4 (0.48) F10RXFP1KDM4E

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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