SCHEMBL3243841

SCHEMBL3243841

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccc(S(C)(=O)=O)cc5)no4)CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 15/20 0.65
▸ KCNH2 Q12809 2/20 0.50
▸ SCN5A Q14524 1/20 0.50
▸ GPR119 Q8TDV5 2/20 0.48
▸ EPHX1 P07099 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ PTK2 Q05397 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45

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
SCHEMBL3244864 0.91 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3236316 0.90 SCN9A (0.68) SCN9AKCNH2SCN5ATUBB4ATUBB
SCHEMBL3241895 0.88 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3247034 0.86 SCN9A (0.67) SCN9AKCNH2SCN5AGPR119
SCHEMBL3238916 0.84 SCN9A (0.65) SCN9AKCNH2SCN5AGPR119
SCHEMBL3244522 0.83 SCN9A (0.63) SCN9AKCNH2SCN5AEPHX2
SCHEMBL3240813 0.82 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3246288 0.81 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3237717 0.81 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3240405 0.81 SCN9A (0.78) SCN9AKCNH2SCN5AGPR119

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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