SCHEMBL5879787

SCHEMBL5879787

O=C(Cc1ccc(F)c(F)c1F)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
LMNA P02545 5/20 0.46
MAPT P10636 5/20 0.46
MEN1 O00255 5/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XBP1 P17861 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL5879788 1.00 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879738 0.90 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879735 0.90 KMT2A (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880126 0.90 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880121 0.90 KMT2A (0.48) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879861 0.89 LMNA (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879859 0.89 LMNA (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879814 0.88 LMNA (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5879810 0.88 LMNA (0.46) KMT2ALMNAMAPTMEN1HTT
SCHEMBL5880059 0.88 LMNA (0.44) 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