SCHEMBL8869618

SCHEMBL8869618

CCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCCc2ccccc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.48
GABRA5 P31644 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PTPN1 P18031 1/20 0.41
CA2 P00918 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL8869549 0.94 P4HTM (0.50) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8868598 0.90 P4HTM (0.51) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8869393 0.89 P4HTM (0.63) P4HTMNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9140452 0.88 P4HTM (0.53) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8868409 0.87 P4HTM (0.50) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8870311 0.87 P4HTM (0.46) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8869623 0.86 P4HTM (0.49) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8867592 0.85 P4HTM (0.57) P4HTMNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL9140278 0.85 P4HTM (0.52) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8870177 0.85 KMT2A (0.46) P4HTMNPC1RAB9ASMN1; SMN2MEN1

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
US-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed