SCHEMBL3238916

SCHEMBL3238916

CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.65
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GPR119 Q8TDV5 1/20 0.52
▸ KCNH2 Q12809 1/20 0.49
▸ SCN5A Q14524 1/20 0.49
▸ IDH2 P48735 1/20 0.48

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
SCHEMBL3241895 0.93 SCN9A (0.65) SCN9AMEN1LMNAMAPTHTT
SCHEMBL3244864 0.90 SCN9A (0.78) SCN9AKCNH2SCN5A
SCHEMBL3247034 0.87 SCN9A (0.67) SCN9AHTTGPR119KCNH2SCN5A
SCHEMBL3236316 0.86 SCN9A (0.68) SCN9AMEN1LMNAMAPTHTT
SCHEMBL3243841 0.84 SCN9A (0.65) SCN9AGPR119KCNH2SCN5A
SCHEMBL3244522 0.83 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3246288 0.82 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3247208 0.81 SCN9A (0.63) SCN9AMEN1LMNAHTTKMT2A
SCHEMBL3240813 0.81 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3237717 0.81 SCN9A (0.61) SCN9AKCNH2SCN5A

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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