SCHEMBL8553246

SCHEMBL8553246

CN(C)CCc1nn(-c2ccccc2)c(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.39
PTGES O14684 5/20 0.38
ALOX5 P09917 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
NFKB1 P19838 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8556673 0.89 PTGES (0.40) NTRK1PTGESALOX5ALDH1A1MAPT
SCHEMBL8554369 0.88 GAA (0.46) NTRK1PTGESALOX5ALDH1A1MAPT
SCHEMBL8553174 0.87 PTGES (0.43) NTRK1PTGESALOX5ALDH1A1MAPT
SCHEMBL1984012 0.84 NTRK1 (0.48) NTRK1PTGESALOX5ALDH1A1MAPT
SCHEMBL8557168 0.83 GAA (0.44) NTRK1PTGESALOX5ALDH1A1TSHR
SCHEMBL7355477 0.82 STS (0.40) NTRK1PTGESALOX5ALDH1A1TSHR
SCHEMBL8552075 0.82 FPR1 (0.41) NTRK1PTGESALOX5ALDH1A1MAPT
SCHEMBL8552811 0.81 FPR1 (0.45) NTRK1ALDH1A1TSHRLMNAL3MBTL1
SCHEMBL8556018 0.80 LMNA (0.48) NTRK1ALDH1A1LMNAL3MBTL1
SCHEMBL8555582 0.79 LMNA (0.47) NTRK1ALDH1A1MAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed