SCHEMBL27378341

SCHEMBL27378341

CC(C)(C)OC(=O)NCCCCOCCOc1cc(-c2cn[nH]c(=O)c2)cc2c1cnn2PI

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.38
▸ DDB1 Q16531 4/20 0.37
▸ CRBN Q96SW2 4/20 0.37
▸ ATR Q13535 5/20 0.35
▸ ATRIP Q8WXE1 3/20 0.35
▸ BCHE P06276 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ PLK1 P53350 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ TRIM24 O15164 1/20 0.32

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
SCHEMBL27377011 0.88 DDB1 (0.34) SCN9ADDB1CRBNBCHECNR2
SCHEMBL27378350 0.84 ATR (0.46) SCN9ADDB1CRBNATRATRIP
SCHEMBL30797812 0.84 ATR (0.46) SCN9ADDB1CRBNATRATRIP
SCHEMBL27377136 0.82 SCN9A (0.38) SCN9ADDB1CRBNATRATRIP
SCHEMBL27376547 0.80 SCN9A (0.37) SCN9ADDB1CRBNATRATRIP
SCHEMBL27377165 0.73 BRD4 (0.34) SCN9ABRD4CA12CA1CA2
SCHEMBL30797677 0.72 ATR (0.41) DDB1CRBNATRATRIPCNR2
SCHEMBL27377014 0.72 ATR (0.41) DDB1CRBNATRATRIPCNR2
SCHEMBL27377504 0.71 CSNK2A2 (0.37) SCN9ADDB1CRBNATRBCHE
SCHEMBL30797862 0.70 IDO1 (0.42) SCN9ADDB1CRBNATRATRIP

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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