SCHEMBL25160115

SCHEMBL25160115

CC[C@@H]([C@@H](C)O)n1ncn(Cc2ccc(C)cn2)c1=O

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ P2RX3 P56373 1/20 0.30
▸ P2RX2 Q9UBL9 1/20 0.30
▸ DAO P14920 1/20 0.30

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
SCHEMBL20644439 0.87 PRMT5 (0.37) —
SCHEMBL21538539 0.82 TDP1 (0.32) TDP1
SCHEMBL25160177 0.81 TLR7 (0.32) TDP1TLR7P2RX3P2RX2DAO
SCHEMBL25160125 0.79 MAPT (0.37) TDP1
SCHEMBL20644372 0.75 NPBWR1 (0.35) —
SCHEMBL25160033 0.73 MAPT (0.51) —
SCHEMBL20652846 0.73 MAPT (0.51) —
SCHEMBL23709213 0.73 MAPT (0.51) —
SCHEMBL12191943 0.73 MAPT (0.51) —
SCHEMBL20644460 0.73 CNR1 (0.32) —

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-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
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