SCHEMBL27728429

SCHEMBL27728429

CCCCNc1ccnn1-c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 3/20 0.48
▸ TLR8 Q9NR97 1/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.43
▸ TYRO3 Q06418 7/20 0.43
▸ MERTK Q12866 7/20 0.43
▸ FLT3 P36888 5/20 0.43
▸ AXL P30530 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAS6 Q14393 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41

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
SCHEMBL27708013 0.88 NPC1 (0.45) TLR7TYRO3MERTKFLT3AXL
SCHEMBL27728529 0.87 TYRO3 (0.45) TLR7TLR8TYRO3MERTKFLT3
SCHEMBL27728421 0.77 TLR7 (0.41) TLR7TLR8HRH3TYRO3MERTK
SCHEMBL27678180 0.76 OXTR (0.44) SMN1; SMN2KMT2ATSHRRAB9AMEN1
SCHEMBL27676108 0.76 SOAT2 (0.52) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL9453146 0.72 SOAT1 (0.58) SMN1; SMN2TSHRRAB9ANPC1TP53
SCHEMBL27728431 0.71 MAPK14 (0.45) TLR7TLR8HRH3SMN1; SMN2KMT2A
SCHEMBL28053394 0.71 TP53 (0.44) SMN1; SMN2KMT2ATSHRRAB9AMEN1
SCHEMBL28766878 0.71 HTT (0.46) SMN1; SMN2KMT2AMEN1LMNAMAPT
SCHEMBL25137036 0.71 HRH3 (0.62) HRH3SMN1; SMN2KMT2ATSHRRAB9A

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-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 — — CN disclosed
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