SCHEMBL7516097

SCHEMBL7516097

Cc1ccccc1C(=S)c1ccc(Nc2cccc3ccn(C)c23)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.50
MAPK13 O15264 12/20 0.50
MAPK12 P53778 12/20 0.50
MAPK11 Q15759 12/20 0.50
MAP2K2 P36507 2/20 0.36
MAP2K1 Q02750 2/20 0.36
AVPR2 P30518 1/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
CCR5 P51681 1/20 0.34
MAPT P10636 2/20 0.33
DHODH Q02127 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7518633 0.91 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7513578 0.90 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7514709 0.90 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7510773 0.88 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7513452 0.86 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL5174459 0.82 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL7514387 0.82 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL1908412 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL7514848 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MAP2K2
SCHEMBL7509072 0.79 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11MAP2K2

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