SCHEMBL5724434

SCHEMBL5724434

Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC(C(=O)OC(C)(C)C)C2CCNCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.37
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ METAP1 P53582 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL5724442 0.96 F10 (0.36) F10TSHRMAPK1NPSR1IRAK4
SCHEMBL5724779 0.86 F10 (0.38) F10RAB9ANPC1
SCHEMBL5724627 0.85 F10 (0.41) F10IRAK4RAB9AIRAK1NPC1
SCHEMBL4270026 0.81 F10 (0.40) F10IRAK4RAB9AIRAK1NPC1
SCHEMBL4277535 0.81 CACNB4 (0.42) F10TSHRMAPK1NPSR1IRAK4
SCHEMBL4274405 0.81 CACNB4 (0.42) F10TSHRMAPK1NPSR1IRAK4
SCHEMBL4274401 0.81 CACNB4 (0.42) F10TSHRMAPK1NPSR1IRAK4
SCHEMBL4280035 0.79 NPC1 (0.50) F10RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL6712441 0.79 NPC1 (0.46) F10TSHRRAB9ATP53SMN1; SMN2
SCHEMBL4268742 0.79 CNR1 (0.39) F10

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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