SCHEMBL30273631

SCHEMBL30273631

Cn1c(=O)n(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)c2ccc(C3=CCCN(C(=O)OC(C)(C)C)C3)cc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ PRMT5 O14744 6/20 0.35
▸ GPR119 Q8TDV5 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ ACHE P22303 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
SCHEMBL31397009 0.93 TLR9 (0.35) TLR9TLR7PRMT5GPR119MEN1
SCHEMBL23540926 0.89 NAMPT (0.41) PRMT5GPR119GRM5
SCHEMBL31323560 0.86 PRMT5 (0.37) TLR9TLR7PRMT5GPR119MEN1
SCHEMBL31397238 0.83 TLR9 (0.38) TLR9TLR7PRMT5GPR119MEN1
SCHEMBL23541226 0.83 GHSR (0.35) TLR9TLR7PRMT5GPR119GRM5
SCHEMBL23541225 0.83 GHSR (0.35) TLR9TLR7PRMT5GPR119GRM5
SCHEMBL31397309 0.83 GHSR (0.35) TLR9TLR7PRMT5GPR119GRM5
SCHEMBL23540770 0.83 TLR9 (0.34) TLR9TLR7PRMT5GPR119MEN1
SCHEMBL24819532 0.83 GHSR (0.35) TLR9TLR7PRMT5GPR119GRM5
SCHEMBL23541288 0.83 GPR119 (0.47) TLR9TLR7GPR119ACHE

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
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
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