SCHEMBL7040581

SCHEMBL7040581

Cc1ccccc1C(=S)c1ccc(Nc2ccc(N)c(N)n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.49
MAPK13 O15264 13/20 0.49
MAPK12 P53778 13/20 0.49
MAPK11 Q15759 13/20 0.49
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 2/20 0.35
DHODH Q02127 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7036398 0.87 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CHRNA7
SCHEMBL7035922 0.86 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7036533 0.85 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7037904 0.83 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7038383 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7032178 0.79 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7593836 0.79 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL1901734 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7037212 0.78 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL1899616 0.77 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MEN1

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