SCHEMBL5879820

SCHEMBL5879820

CN(C)c1cccc(OCC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
MAPT P10636 10/20 0.49
LMNA P02545 5/20 0.49
KDM4E B2RXH2 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ANO1 Q5XXA6 2/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5879825 1.00 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5880198 0.89 MAPT (0.55) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5880202 0.89 MAPT (0.55) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5879834 0.88 MAPK1 (0.53) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL6378261 0.88 MAPK1 (0.53) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5880199 0.82 LMNA (0.47) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5880203 0.82 LMNA (0.47) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5879846 0.81 KDM4E (0.55) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5879842 0.81 KDM4E (0.55) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL5880113 0.79 SGK1 (0.48) ALDH1A1MAPTLMNAKDM4EKMT2A

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