SCHEMBL9519639

SCHEMBL9519639

CCOCc1ccc(C(=O)NS(=O)(=O)CCOCc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.47
GABRA5 P31644 1/20 0.42
PTPN1 P18031 1/20 0.37
HDAC1 Q13547 2/20 0.37
SMPD1 P17405 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CXCR2 P25025 1/20 0.36
SCN9A Q15858 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9517010 0.96 P4HTM (0.47) P4HTMGABRA5PTPN1HDAC1SMPD1
SCHEMBL9517019 0.90 GABRA5 (0.40) P4HTMGABRA5HDAC1HDAC6SCN9A
SCHEMBL9517942 0.90 P4HTM (0.47) P4HTMGABRA5PTPN1HDAC1SMPD1
SCHEMBL9515803 0.88 P4HTM (0.49) P4HTMGABRA5HDAC1HDAC6CXCR2
SCHEMBL9515706 0.87 P4HTM (0.43) P4HTMGABRA5PTPN1HDAC1SMPD1
SCHEMBL9517881 0.86 GABRA5 (0.53) P4HTMGABRA5PTPN1HDAC1SMPD1
SCHEMBL9517918 0.85 GABRA5 (0.43) P4HTMGABRA5PTPN1SCN9ASMN1; SMN2
SCHEMBL9517966 0.84 P4HTM (0.45) P4HTMGABRA5PTPN1HDAC1SMPD1
SCHEMBL9516209 0.83 P4HTM (0.38) P4HTMGABRA5HDAC6SCN9AL3MBTL1
SCHEMBL9516194 0.83 GABRA5 (0.38) P4HTMGABRA5HDAC6SCN9AL3MBTL1

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