SCHEMBL8623161

SCHEMBL8623161

O=C1CC(S(=O)(=O)Cc2ccccc2)N1CCCCCCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
SIGMAR1 Q99720 5/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
NAAA Q02083 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PTGER4 P35408 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
SCHEMBL8439355 0.93 GSK3A (0.44) GSK3BGSK3ASIGMAR1MEN1ALDH1A1
SCHEMBL8772449 0.86 CYP1A2 (0.42) GSK3BGSK3AMEN1ALDH1A1KMT2A
SCHEMBL8772454 0.86 POLB (0.42) GSK3BGSK3ASIGMAR1MEN1ALDH1A1
SCHEMBL8552263 0.84 HRH1 (0.39) ALDH1A1KMT2ASMN1; SMN2HSD17B10NAAA
SCHEMBL8549758 0.83 TRPV1 (0.44) ALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8104154 0.78 FAAH (0.44) GSK3BGSK3ASIGMAR1MEN1KMT2A
SCHEMBL8442243 0.75 TRPV1 (0.49) ALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8550864 0.75 HDAC1 (0.39) MEN1KMT2A
SCHEMBL8619484 0.74 GSK3B (0.39) GSK3BGSK3ASIGMAR1MEN1KMT2A
SCHEMBL8772533 0.74 KCNA5 (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865429-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-09-23 EP disclosed
WO-1997021676-A1 AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed