SCHEMBL9516888

SCHEMBL9516888

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.50
PTPN1 P18031 1/20 0.41
P4HTM Q9NXG6 5/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HTR7 P34969 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SCN9A Q15858 1/20 0.35
HCAR3 P49019 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 0.91 GABRA5 (0.43) GABRA5PTPN1P4HTMGAAHPGD
SCHEMBL9517019 0.89 GABRA5 (0.40) GABRA5P4HTMHPGDHDAC6SCN9A
SCHEMBL9516196 0.88 GABRA5 (0.50) GABRA5PTPN1P4HTMKDM4EALDH1A1
SCHEMBL9516040 0.88 GABRA5 (0.41) GABRA5PTPN1P4HTMALDH1A1SMN1; SMN2
SCHEMBL9517881 0.88 GABRA5 (0.53) GABRA5PTPN1P4HTMHDAC8HDAC6
SCHEMBL9516300 0.85 GABRA5 (0.48) GABRA5PTPN1P4HTMKDM4EALDH1A1
SCHEMBL9516209 0.84 P4HTM (0.38) GABRA5P4HTMALDH1A1MAPTHDAC6
SCHEMBL9516086 0.84 GABRA5 (0.41) GABRA5PTPN1P4HTMHPGDSMN1; SMN2
SCHEMBL9519237 0.84 P4HTM (0.55) P4HTMHDAC6SCN9A
SCHEMBL9517219 0.83 GABRA5 (0.38) GABRA5ALDH1A1GAAMAPTHPGD

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