SCHEMBL9517019

SCHEMBL9517019

CCOCCS(=O)(=O)NC(=O)c1ccc(COCC)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
P4HTM Q9NXG6 9/20 0.39
SCN9A Q15858 4/20 0.36
SCN5A Q14524 2/20 0.36
HDAC6 Q9UBN7 4/20 0.35
HDAC1 Q13547 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9517918 0.92 GABRA5 (0.43) GABRA5P4HTMSCN9ASCN5AHPGD
SCHEMBL9516194 0.92 GABRA5 (0.38) GABRA5P4HTMSCN9ASCN5AHDAC6
SCHEMBL9517187 0.90 NPC1 (0.40) GABRA5P4HTMSCN9ASCN5AHDAC6
SCHEMBL9519639 0.90 P4HTM (0.47) GABRA5P4HTMSCN9AHDAC6HDAC1
SCHEMBL9517010 0.90 P4HTM (0.47) GABRA5P4HTMSCN9AHDAC6HDAC1
SCHEMBL9516209 0.90 P4HTM (0.38) GABRA5P4HTMSCN9ASCN5AHDAC6
SCHEMBL9516888 0.89 GABRA5 (0.50) GABRA5P4HTMSCN9AHDAC6HPGD
SCHEMBL9516040 0.87 GABRA5 (0.41) GABRA5P4HTMHDAC6
SCHEMBL9516086 0.85 GABRA5 (0.41) GABRA5P4HTMSCN9ASCN5ANPC1
SCHEMBL9519237 0.85 P4HTM (0.55) P4HTMSCN9ASCN5AHDAC6HDAC1

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed