SCHEMBL7516093

SCHEMBL7516093

Cc1ccccc1C(=O)c1ccc(SNc2cccc3ccn(C)c23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 12/20 0.47
MAPK12 P53778 12/20 0.47
MAPK11 Q15759 12/20 0.47
MAPK14 Q16539 12/20 0.47
CCR5 P51681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PYGL P06737 1/20 0.32
CMA1 P23946 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7518627 0.91 SMN1; SMN2 (0.40) MAPK13MAPK12MAPK11MAPK14CCR5
SCHEMBL7513571 0.90 MAPK13 (0.37) MAPK13MAPK12MAPK11MAPK14CCR5
SCHEMBL7510773 0.83 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL7514380 0.80 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7033611 0.79 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7037902 0.76 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7030739 0.75 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7596971 0.74 CMA1 (0.40) MAPK13MAPK12MAPK11MAPK14CCR5
SCHEMBL7518332 0.74 MAPK14 (0.55) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7032174 0.74 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14TP53

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
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US claimed
US-6432962-B2 Benzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-08-13 US disclosed