SCHEMBL27728529

SCHEMBL27728529

CCCCNc1ccnn1-c1cccc(CN2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 4/20 0.45
▸ MERTK Q12866 4/20 0.45
▸ AXL P30530 2/20 0.45
▸ NCF1 P14598 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ TLR7 Q9NYK1 5/20 0.42
▸ TLR8 Q9NR97 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ GAS6 Q14393 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL27728429 0.87 TLR7 (0.48) TYRO3MERTKAXLNOS1TLR7
SCHEMBL27705944 0.78 SMN1; SMN2 (0.53) NCF1NOS1TLR7TLR8ALDH1A1
SCHEMBL28784326 0.76 SOAT2 (0.41) TLR7TLR8ALDH1A1SMN1; SMN2HPGD
SCHEMBL27708013 0.76 NPC1 (0.45) TYRO3MERTKAXLTLR7ALDH1A1
SCHEMBL27676108 0.75 SOAT2 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4ETP53
SCHEMBL27728530 0.74 NCF1 (0.45) NCF1NOS1TLR7ALDH1A1SMN1; SMN2
SCHEMBL5257716 0.71 PDE4B (0.50) ALDH1A1SMN1; SMN2HPGDHTTNPC1
SCHEMBL9453146 0.71 SOAT1 (0.58) ALDH1A1SMN1; SMN2HPGDKDM4ETP53
SCHEMBL28053394 0.70 TP53 (0.44) ALDH1A1SMN1; SMN2KDM4EHTTTP53
SCHEMBL11086699 0.70 SOAT1 (0.60) ALDH1A1SMN1; SMN2HPGDKDM4ETP53

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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