SCHEMBL1542896

SCHEMBL1542896

COc1c(OCCCc2ccccc2)c2c(c(C)c1C(C)=O)ONO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
KCNA3 P22001 5/20 0.39
PDE4D Q08499 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
MTNR1B P49286 1/20 0.37
S1PR5 Q9H228 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL1542897 0.83 SCN9A (0.37) SCN9AKCNA3PDE4DLMNAMAPT
SCHEMBL2180079 0.79 KCNA3 (0.42) SCN9AKCNA3PDE4DMTNR1B
SCHEMBL2179672 0.78 LMNA (0.41) SCN9AKCNA3PDE4DLMNAMAPT
SCHEMBL1542204 0.76 GRIN2D (0.42) SCN9APDE4DLMNAMAPTNPC1
SCHEMBL3612488 0.76 KCNA3 (0.64) KCNA3
SCHEMBL2180340 0.75 GRIN2D (0.41) SCN9APDE4D
SCHEMBL3757808 0.74 PDE4D (0.45) SCN9AKCNA3PDE4D
SCHEMBL3763110 0.73 PDE4D (0.43) SCN9AKCNA3PDE4DLMNAFFAR1
SCHEMBL1541608 0.72 PDE4D (0.51) SCN9APDE4DLMNAMTNR1BSMN1; SMN2
SCHEMBL3754114 0.71 KCNA3 (0.41) SCN9AKCNA3LMNASMN1; SMN2

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-2303850-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF Bionomics Limited (AU) 2011-04-06 EP disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 WO disclosed