SCHEMBL7036690

SCHEMBL7036690

Cc1ccccc1C(=S)c1ccc(Nc2ccccn2)cc1Cl.Cc1ccccc1C(=S)c1ccc(Nc2ccncc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.49
MAPK13 O15264 7/20 0.49
MAPK12 P53778 7/20 0.49
MAPK11 Q15759 7/20 0.49
GRM4 Q14833 1/20 0.41
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TYK2 P29597 1/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL7032178 0.93 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7033588 0.91 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7036631 0.84 RAB9A (0.46) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7033514 0.82 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL1901734 0.81 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL1899616 0.80 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL7039968 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7040292 0.79 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL7040238 0.78 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GRM4
SCHEMBL7038383 0.78 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289958-A2 BENZOPHENONES AS INHIBITORS OF IL-1$g(b) AND TNF-$g(a) Leo Pharma A/S (DK) 2003-03-12 EP claimed
WO-2001090074-A2 BENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) LEO PHARMA A/S (DK) 2001-11-29 WO claimed