SCHEMBL5880126

SCHEMBL5880126

O=C(Cc1ccccc1F)NN=Cc1ccccc1OS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 5/20 0.48
MEN1 O00255 5/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 2/20 0.42
MAPK1 P28482 1/20 0.42
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
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL5880121 1.00 KMT2A (0.48) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879859 0.92 LMNA (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879861 0.92 LMNA (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879810 0.91 LMNA (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879814 0.91 LMNA (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5880162 0.91 KMT2A (0.48) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5880167 0.91 KMT2A (0.48) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879788 0.90 KMT2A (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879787 0.90 KMT2A (0.46) KMT2AMAPTLMNAMEN1HTT
SCHEMBL5879774 0.90 LMNA (0.50) KMT2AMAPTLMNAMEN1HTT

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