SCHEMBL5204601

SCHEMBL5204601

NC(=O)CSSc1ncc(-c2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 2/20 0.43
PTGES O14684 1/20 0.40
PRNP P04156 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PARP1 P09874 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
CHEK2 O96017 1/20 0.38
MKNK2 Q9HBH9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL5717813 0.84 RAB9A (0.56) RAB9AL3MBTL1LMNAMAPTPTGES
SCHEMBL9911965 0.72 MAPT (0.47) RAB9AL3MBTL1MAPTPRNPGAA
SCHEMBL445286 0.69 EHMT2 (0.53) RAB9ALMNAMAPTGAASMN1; SMN2
SCHEMBL13341596 0.68 RAB9A (0.55) RAB9AL3MBTL1MAPTPTGESSMN1; SMN2
SCHEMBL30440577 0.66 SRC (0.51) LMNAGAAPARP1MKNK1CHEK2
Biphenyl SCHEMBL7707456 0.65 KDM4E (0.52) RAB9AL3MBTL1LMNAMAPTGAA
Biphenyl SCHEMBL27350250 0.65 BCAT2 (0.52) RAB9AL3MBTL1LMNAMAPTGAA
Biphenyl SCHEMBL9843146 0.65 KDM4E (0.52) RAB9AL3MBTL1LMNAMAPTGAA
SCHEMBL18323991 0.65 MEN1 (0.62) LMNAMAPTGAAKDM4E
SCHEMBL6885681 0.64 RAB9A (0.54) RAB9AL3MBTL1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 EP disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed