SCHEMBL28865459

SCHEMBL28865459

C=[N+]([O-])c1ccc(C2=NCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LTA4H P09960 1/20 0.41
LSS P48449 1/20 0.33
USP9X Q93008 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL5611161 0.83 NOTUM (0.44)
SCHEMBL132013 0.81 KCNH2 (0.49) KCNH2HRH3LTA4HLSSUSP9X
SCHEMBL9181791 0.76 KCNH2 (0.43) KCNH2HRH3LTA4HLSSUSP9X
SCHEMBL14875009 0.74 G6PD (0.49) KCNH2HRH3LSSUSP9XSMN1; SMN2
SCHEMBL20410837 0.74 KCNH2 (0.44) KCNH2HRH3LTA4HLSSUSP9X
SCHEMBL10520360 0.74 KCNH2 (0.48) KCNH2HRH3LTA4HLSSSMN1; SMN2
SCHEMBL9475161 0.74 KCNH2 (0.44) KCNH2HRH3LTA4HLSSUSP9X
SCHEMBL14874901 0.72 MAPT (0.35) KCNH2HRH3LTA4HLSS
SCHEMBL14573121 0.72 LSS (0.39) KCNH2HRH3LTA4HLSSUSP9X
SCHEMBL1817200 0.72 LSS (0.51) KCNH2HRH3LTA4HLSS

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-105367509-B Polyalcohol-filling material coupling additive agent 株式会社普利司通 2018-09-21 CN disclosed