SCHEMBL7030642

SCHEMBL7030642

Cc1ccc(C)c(C(=O)c2ccc(SNc3cnccc3C)cc2Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.44
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
MAPK11 Q15759 3/20 0.39
MAPK14 Q16539 3/20 0.39
DHODH Q02127 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.36
MITF O75030 1/20 0.36
S1PR4 O95977 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
SIRT3 Q9NTG7 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
SCHEMBL7030739 0.88 MAPK13 (0.53) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7038999 0.86 CYP11B2 (0.44) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7037792 0.84 MAPK13 (0.41) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7035322 0.83 MAPK13 (0.38) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7030706 0.82 MAPK13 (0.57) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7512487 0.76 MAPK13 (0.40) KDM4CMAPK13MAPK12MAPK11MAPK14
SCHEMBL7513571 0.75 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7033586 0.74 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14DHODH
SCHEMBL7040291 0.74 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7036626 0.73 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14RAB9A

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