SCHEMBL27377136

SCHEMBL27377136

CC(C)(C)OC(=O)NCCCCOCCOc1cc(-c2cnn(PI)c2C#N)cc2c1cnn2PI

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ BRD4 O60885 3/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ DDB1 Q16531 2/20 0.33
▸ CRBN Q96SW2 2/20 0.33
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA2 P00918 4/20 0.32
▸ CA9 Q16790 4/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ ATR Q13535 3/20 0.32
▸ ATRIP Q8WXE1 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ RET P07949 1/20 0.31

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
SCHEMBL27377147 0.88 CCNC (0.33) SCN9ABRD4KCNH2BCHECNR2
SCHEMBL27378341 0.82 SCN9A (0.38) SCN9ABRD4BCHECNR2DDB1
SCHEMBL27377137 0.81 ATR (0.46) SCN9ABRD4KCNH2BCHECNR2
SCHEMBL30797758 0.81 ATR (0.46) SCN9ABRD4KCNH2BCHECNR2
SCHEMBL27376547 0.78 SCN9A (0.37) SCN9ABRD4BCHECNR2DDB1
SCHEMBL27377504 0.71 CSNK2A2 (0.37) SCN9ABRD4BCHECNR2DDB1
SCHEMBL27377011 0.70 DDB1 (0.34) SCN9ABRD4BCHECNR2DDB1
SCHEMBL27377165 0.70 BRD4 (0.34) SCN9ABRD4CA12CA1CA2
SCHEMBL30797714 0.70 ATR (0.41) SCN9ABRD4KCNH2TRIM24ATR
SCHEMBL27377150 0.70 ATR (0.41) SCN9ABRD4KCNH2TRIM24ATR

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-2024052701-A1 NOVEL COMPOUNDS, COMPOSITIONS AND THERAPEUTIC USES THEREOF CAMBRIDGE ENTERPRISE LIMITED (GB) 2024-03-14 — — WO disclosed
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