SCHEMBL9518142

SCHEMBL9518142

O=C(NS(=O)(=O)CCCCOCc1ccccc1)c1ccc(CO)nc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.47
GABRA5 P31644 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.39
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
FAAH O00519 1/20 0.36
CXCR2 P25025 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MGLL Q99685 1/20 0.36
BCL2L1 Q07817 1/20 0.35
MCL1 Q07820 1/20 0.35
SCN9A Q15858 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
SCHEMBL9515803 0.93 P4HTM (0.49) P4HTMGABRA5L3MBTL1MEN1NPC1
SCHEMBL9517966 0.86 P4HTM (0.45) P4HTMGABRA5PTPN1CXCR2MMP3
SCHEMBL9515950 0.85 GABRA5 (0.40) P4HTMGABRA5L3MBTL1MEN1NPC1
SCHEMBL9516030 0.84 GABRA5 (0.44) P4HTMGABRA5L3MBTL1MEN1NPC1
SCHEMBL9517881 0.82 GABRA5 (0.53) P4HTMGABRA5MEN1NPC1RAB9A
SCHEMBL9517942 0.81 P4HTM (0.47) P4HTMGABRA5PTPN1CXCR2BCL2L1
SCHEMBL9519639 0.81 P4HTM (0.47) P4HTMGABRA5L3MBTL1PTPN1CXCR2
SCHEMBL9517031 0.81 P4HTM (0.39) P4HTMGABRA5L3MBTL1MEN1NPC1
SCHEMBL9517010 0.79 P4HTM (0.47) P4HTMGABRA5PTPN1CXCR2BCL2L1
SCHEMBL9517984 0.78 GABRA5 (0.42) P4HTMGABRA5L3MBTL1MEN1NPC1

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