SCHEMBL7040291

SCHEMBL7040291

Cc1ccccc1C(=O)c1ccc(SNc2cccnc2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.53
MAPK12 P53778 10/20 0.53
MAPK11 Q15759 10/20 0.53
MAPK14 Q16539 10/20 0.53
CYP11B2 P19099 2/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
CSF1R P07333 2/20 0.40
BRAF P15056 1/20 0.40
NOTUM Q6P988 1/20 0.40
SGMS2 Q8NHU3 1/20 0.39

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
SCHEMBL7040242 0.89 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL7033586 0.88 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7037776 0.87 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7030739 0.86 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7036626 0.84 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7036540 0.82 MAPK14 (0.75) MAPK13MAPK12MAPK11MAPK14CYP11B2
SCHEMBL7033522 0.82 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7036689 0.81 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7032500 0.80 KDR (0.48) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL7032174 0.80 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US claimed
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP disclosed
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US disclosed
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 WO disclosed