SCHEMBL1385137

SCHEMBL1385137

Nc1[nH]nc(-c2ccc(F)cc2F)c1C(=O)c1cccc(S(=O)(=O)CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
ALPL P05186 3/20 0.36
VNN1 O95497 1/20 0.35
MAP2K4 P45985 5/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
MAP2K7 O14733 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNH2 Q12809 2/20 0.32
DRD2 P14416 1/20 0.32
HSD11B1 P28845 1/20 0.32
CA2 P00918 1/20 0.32
MAPK10 P53779 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 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
SCHEMBL7464576 0.79 ALOX15 (0.47) ALOX15ALPLMAP2K4HSD17B1HSD17B2
SCHEMBL7474793 0.79 ALOX15 (0.44) ALOX15ALPLMAP2K4HSD17B1HSD17B2
SCHEMBL7480688 0.78 ALOX15 (0.43) ALOX15ALPLMAP2K4HSD17B1HSD17B2
SCHEMBL7473891 0.76 MAPK14 (0.52) ALOX15ALPLMAP2K4HSD17B1HSD17B2
SCHEMBL7479297 0.74 MAPK14 (0.54) ALOX15MAP2K4KCNH2MAPK14
SCHEMBL7811737 0.74 MAPK14 (0.55) ALOX15ALPLMAP2K4MAP2K7HSD17B1
SCHEMBL7481210 0.74 PTAFR (0.42) ALOX15VNN1ALDH1A1MAPK14
Hydrochloric Acid SCHEMBL7483144 0.74 MAPK14 (0.53) ALOX15MAP2K4KCNH2MAPK14
SCHEMBL7478102 0.74 ALOX15 (0.40) ALOX15ALPLMAP2K4HSD17B1HSD17B2
SCHEMBL7475964 0.74 CYP2D6 (0.47) ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
JP-2007521278-A 2007-08-02 JP claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP claimed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP disclosed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed