SCHEMBL5880064

SCHEMBL5880064

O=C(Cc1cc(F)cc(F)c1F)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.44
MAPT P10636 8/20 0.44
KMT2A Q03164 7/20 0.44
HTT P42858 6/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GAA P10253 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
XBP1 P17861 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.39
EYA2 O00167 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
SCHEMBL5880059 1.00 LMNA (0.44) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5879861 0.91 LMNA (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5879859 0.91 LMNA (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5880019 0.89 KMT2A (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5879810 0.89 LMNA (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5880025 0.89 KMT2A (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5879814 0.89 LMNA (0.46) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5880121 0.88 KMT2A (0.48) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5880126 0.88 KMT2A (0.48) LMNAMAPTKMT2AHTTMEN1
SCHEMBL5879787 0.88 KMT2A (0.46) LMNAMAPTKMT2AHTTMEN1

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