SCHEMBL7512487

SCHEMBL7512487

Cc1ccncc1NSc1ccc(C(=O)c2ccccc2C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
MAPK14 Q16539 6/20 0.40
TYK2 P29597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KDM4C Q9H3R0 4/20 0.36
IMPDH2 P12268 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM6B O15054 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7040217 0.83 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7037792 0.77 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL7038999 0.76 CYP11B2 (0.44) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7030642 0.76 KDM4C (0.44) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL7033586 0.74 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7040291 0.73 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7036626 0.73 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL7034038 0.71 MAPK14 (0.76) MAPK13MAPK12MAPK11MAPK14TYK2
SCHEMBL7040242 0.70 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14TYK2

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