SCHEMBL30836779

SCHEMBL30836779

CC1(C)OB(c2cccc(NC(=O)c3ccc(C=O)cn3)c2Cl)OC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 9/20 0.50
▸ PDCD1 Q15116 2/20 0.36
▸ CD274 Q9NZQ7 2/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ CXCR2 P25025 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30836769 0.89 LIPE (0.50) LIPEPDCD1CD274NPC1
SCHEMBL31096107 0.86 PDCD1 (0.49) LIPEPDCD1CD274
SCHEMBL28793298 0.82 LIPE (0.52) LIPECD274CXCR2MEN1AHR
SCHEMBL20293126 0.81 LIPE (0.50) LIPEPDCD1CD274PTPN11CXCR2
SCHEMBL30836715 0.81 LIPE (0.50) LIPEPDCD1CD274PTPN11CXCR2
SCHEMBL25891782 0.78 LIPE (0.46) LIPEPDCD1CD274SMN1; SMN2NPC1
SCHEMBL31354155 0.76 PDCD1 (0.51) LIPEPDCD1CD274
SCHEMBL20293718 0.76 P4HTM (0.40) PDCD1CD274SMN1; SMN2NPC1ALDH1A1
SCHEMBL31353784 0.76 P4HTM (0.40) PDCD1CD274SMN1; SMN2NPC1ALDH1A1
SCHEMBL21623038 0.75 LIPE (0.45) LIPEPDCD1CD274MEN1AHR

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-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 — — WO disclosed
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