SCHEMBL31504429

SCHEMBL31504429

c1ccc(COc2ccc(Nc3cccc(-n4cc(CC5CCCCC5)nn4)c3)c(C3CC3)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 9/20 0.38
▸ GRIN1 Q05586 9/20 0.38
▸ GRIN2B Q13224 9/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ MCHR1 Q99705 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ CA12 O43570 4/20 0.35
▸ CA9 Q16790 4/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35

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
SCHEMBL21623400 1.00 RXRA (0.38) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL23308001 0.90 JAK2 (0.39) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL31504417 0.86 RXRA (0.42) RXRAGRIN1GRIN2BMCHR1
SCHEMBL21623435 0.86 RXRA (0.42) RXRAGRIN1GRIN2BMCHR1
SCHEMBL21623471 0.86 DDX3X (0.41) RXRAGRIN1GRIN2BKCNH2MCHR1
SCHEMBL31504394 0.86 DDX3X (0.41) RXRAGRIN1GRIN2BKCNH2MCHR1
SCHEMBL21617311 0.86 KCNH2 (0.41) RXRAGRIN1GRIN2BJAK2ROCK2
SCHEMBL21617268 0.79 SIRT2 (0.40) MCHR1
SCHEMBL31504397 0.79 SIRT2 (0.40) MCHR1
SCHEMBL21617195 0.77 MET (0.44) MCHR1

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
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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