SCHEMBL7030728

SCHEMBL7030728

Cc1ccccc1C(=O)c1ccc(SNc2ccc([N+](=O)[O-])cn2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 4/20 0.48
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 4/20 0.48
MAPK14 Q16539 4/20 0.48
MAPT P10636 6/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL7032153 0.83 MEN1 (0.67) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7032174 0.81 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL7036626 0.79 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL7039473 0.79 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL5173228 0.77 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7033522 0.77 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7037902 0.77 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7036689 0.76 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14RAB9A
SCHEMBL7037776 0.76 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7040242 0.75 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14MAPT

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