SCHEMBL1552327

SCHEMBL1552327

C=CC(=O)N1C2=CC=CCC2=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.38
▸ P2RX4 Q99571 3/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ P2RX1 P51575 2/20 0.32
▸ P2RX3 P56373 2/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SCN4A P35499 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ ACHE P22303 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
SCHEMBL10840905 0.83 P2RX4 (0.36) P2RX4P2RX1P2RX3P2RX7LMNA
SCHEMBL4730217 0.82 P2RX4 (0.35) P2RX4P2RX1P2RX3P2RX7LMNA
SCHEMBL28711618 0.78 GSK3B (0.40) GSK3BP2RX4KCNH2P2RX1P2RX3
SCHEMBL7757567 0.75 — —
SCHEMBL10841349 0.73 GLA (0.35) —
SCHEMBL3730203 0.73 GPR84 (0.35) —
SCHEMBL20291578 0.73 CA12 (0.39) —
SCHEMBL7035805 0.70 — —
SCHEMBL5401292 0.70 — —
SCHEMBL5231214 0.69 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313183-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M Innovative Properties Company (US) 2011-04-27 — — EP disclosed
WO-2009146321-A1 LIGAND FUNCTIONALIZED SUBSTRATES 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-12-03 — — WO disclosed
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