SCHEMBL7030739

SCHEMBL7030739

Cc1ccncc1NSc1ccc(C(=O)c2ccccc2C)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.53
MAPK12 P53778 11/20 0.53
MAPK11 Q15759 11/20 0.53
MAPK14 Q16539 11/20 0.53
KDM4C Q9H3R0 3/20 0.38
LMNA P02545 2/20 0.38
TYK2 P29597 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM6B O15054 1/20 0.36
GRM4 Q14833 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
IMPDH2 P12268 1/20 0.35

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
SCHEMBL7037792 0.89 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KDM4C
SCHEMBL7038999 0.89 CYP11B2 (0.44) MAPK13MAPK12MAPK11MAPK14KDM4C
SCHEMBL7030642 0.88 KDM4C (0.44) MAPK13MAPK12MAPK11MAPK14KDM4C
SCHEMBL7512487 0.88 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KDM4C
SCHEMBL7033586 0.86 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7040291 0.86 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7036626 0.85 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7040242 0.83 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7033522 0.83 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14GRM4
SCHEMBL7034038 0.82 MAPK14 (0.76) MAPK13MAPK12MAPK11MAPK14TYK2

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