SCHEMBL493045

SCHEMBL493045

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
KDM4E B2RXH2 1/20 0.72
RAB9A P51151 1/20 0.69
USP2 O75604 1/20 0.68
TSHR P16473 5/20 0.67
MCOLN3 Q8TDD5 3/20 0.67
NPBWR1 P48145 1/20 0.67
MCHR1 Q99705 1/20 0.67
VCAM1 P19320 1/20 0.64
L3MBTL1 Q9Y468 4/20 0.63
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57

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
SCHEMBL494192 0.98 KDM4E (0.74) POLBKDM4ERAB9AUSP2TSHR
SCHEMBL16733049 0.84 HSD17B10 (0.61) POLBKDM4EUSP2TSHRMCOLN3
SCHEMBL15010831 0.84 ALDH1A1 (0.73) POLBKDM4ERAB9AUSP2TSHR
SCHEMBL13489662 0.82 MAPT (0.70) POLBKDM4ERAB9AUSP2L3MBTL1
SCHEMBL8049609 0.82 RAB9A (0.85) POLBKDM4ERAB9AUSP2TSHR
SCHEMBL20526493 0.82 KDM4E (0.63) POLBKDM4ERAB9AUSP2TSHR
SCHEMBL4716108 0.82 NPBWR1 (0.67) POLBKDM4EUSP2TSHRMCOLN3
SCHEMBL11009495 0.82 KDM4E (0.77) POLBKDM4ERAB9AUSP2TSHR
SCHEMBL5249795 0.81 L3MBTL1 (0.86) POLBUSP2L3MBTL1ALDH1A1MEN1
SCHEMBL5251337 0.81 L3MBTL1 (0.86) POLBUSP2L3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760839-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013049104-A1 PYRIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed