SCHEMBL5880103

SCHEMBL5880103

Cc1ccccc1CC(=O)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
LMNA P02545 5/20 0.52
MAPT P10636 5/20 0.52
HTT P42858 3/20 0.52
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.44
ANO1 Q5XXA6 2/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
XBP1 P17861 1/20 0.40

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
SCHEMBL5880100 1.00 KMT2A (0.52) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879774 0.91 LMNA (0.50) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879771 0.91 LMNA (0.50) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879939 0.91 KMT2A (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879933 0.91 KMT2A (0.47) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5880121 0.90 KMT2A (0.48) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5880126 0.90 KMT2A (0.48) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879726 0.88 LMNA (0.54) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879725 0.88 LMNA (0.54) KMT2AMEN1LMNAMAPTHTT
SCHEMBL5879910 0.88 LMNA (0.51) KMT2AMEN1LMNAMAPTHTT

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