SCHEMBL27070110

SCHEMBL27070110

Cc1nc(C(F)(F)F)ccc1SNC1CC2(C1)CN(C1CCOCC1)C2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 2/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ KCNK3 O14649 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL27034226 0.78 PTGS2 (0.36) PTGS2KCNK3KCNH2
SCHEMBL27070113 0.75 IDH1 (0.40) IDH1IDH2
SCHEMBL26065407 0.74 LRRK2 (0.31) LRRK2TLR9TLR8TLR7KCNH2
SCHEMBL26064896 0.72 HTR2A (0.33) LRRK2PTGS2TLR9TLR8TLR7
SCHEMBL27346362 0.72 KCNH2 (0.32) PDE9ALRRK2PTGS2IDH2KCNH2
SCHEMBL26065534 0.72 PDE9A (0.31) PDE9AIDH1IDH2
SCHEMBL25370762 0.71 TRPV4 (0.41) PTGS2KCNH2
SCHEMBL27070242 0.71 HDAC4 (0.36) —
SCHEMBL26066088 0.71 IRAK4 (0.33) PDE9A
SCHEMBL26066127 0.71 KCNH2 (0.32) PDE9AKCNH2

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-2024020156-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2024-01-25 — — WO disclosed
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