SCHEMBL30723547

SCHEMBL30723547

COc1c(OCC(F)F)ccnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.38
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE8A O60658 4/20 0.33
▸ EDNRA P25101 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ NOS3 P29474 4/20 0.33
▸ NOS2 P35228 4/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ REN P00797 2/20 0.32
▸ CTSD P07339 2/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ BACE2 Q9Y5Z0 2/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL22235384 0.79 NOS3 (0.41) NPC1RAB9ANOS3NOS2NOS1
SCHEMBL22234884 0.73 LTA4H (0.54) SCN9ANPC1RAB9AEDNRAMAPT
SCHEMBL25254061 0.70 MBOAT4 (0.32) PDE8AMAPTGSK3B
SCHEMBL30323804 0.70 NOS3 (0.39) NPC1RAB9ANOS3NOS2NOS1
SCHEMBL15467137 0.70 NOS3 (0.39) NPC1RAB9ANOS3NOS2NOS1
SCHEMBL28163267 0.70 NOS2 (0.39) NPC1RAB9ANOS3NOS2NOS1
SCHEMBL29745025 0.69 NOS3 (0.52) NPC1RAB9AMAPTNOS3NOS2
SCHEMBL2954177 0.69 NOS3 (0.52) NPC1RAB9AMAPTNOS3NOS2
SCHEMBL31602251 0.69 NOS2 (0.42) NPC1RAB9ANOS3NOS2NOS1
SCHEMBL9984313 0.68 SMN1; SMN2 (0.47) MAPTNOS3NOS2TLR8

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-112292375-B Substituted alkoxypyridinyl indole sulfonamides 优时比制药有限公司 2023-12-05 — — CN disclosed
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