SCHEMBL24048532

SCHEMBL24048532

CNc1ccc(OC(C)C)c(C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 5/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ P2RX3 P56373 2/20 0.44
▸ NPY2R P49146 1/20 0.44

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
SCHEMBL14046649 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL13193178 0.77 XDH (0.49) XDHALDH1A1
SCHEMBL21079169 0.77 XDH (0.49) XDHALDH1A1
SCHEMBL9034199 0.77 XDH (0.49) XDHALDH1A1
SCHEMBL1293570 0.76 XDH (0.48) XDH
SCHEMBL22272207 0.76 XDH (0.48) XDHALDH1A1
SCHEMBL2115285 0.76 XDH (0.48) XDHALDH1A1
SCHEMBL8799381 0.76 XDH (0.48) XDHALDH1A1
SCHEMBL7072323 0.76 NOS2 (0.52) XDHP2RX3
SCHEMBL16951550 0.76 XDH (0.48) XDHALDH1A1

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-2021233227-A1 COMPOUNDS AS PROTEIN KINASE INHIBITORS FOCHON PHARMACEUTICALS, LTD. (CN) 2021-11-25 — — WO disclosed
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