SCHEMBL5879738

SCHEMBL5879738

O=C(Cc1c(F)ccc(F)c1F)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
HTT P42858 2/20 0.46
PTGS2 P35354 2/20 0.45
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL5879735 1.00 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880167 0.93 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880162 0.93 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880172 0.92 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880178 0.92 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879788 0.90 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879787 0.90 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880276 0.89 LMNA (0.45) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880279 0.89 LMNA (0.45) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880019 0.87 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT

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
US-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed