SCHEMBL5879998

SCHEMBL5879998

CCOc1ccc(CC(=O)N/N=C/c2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MAPT P10636 6/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
OXTR P30559 2/20 0.44
AVPR1A P37288 2/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL5880002 1.00 NPC1 (0.47) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5879910 0.92 LMNA (0.51) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5879907 0.92 LMNA (0.51) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5879902 0.91 KMT2A (0.52) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5879904 0.91 KMT2A (0.52) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5880193 0.89 LMNA (0.49) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5880196 0.89 LMNA (0.49) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5880033 0.89 LMNA (0.48) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5880038 0.89 LMNA (0.48) NPC1MAPTMEN1KMT2ALMNA
SCHEMBL5880090 0.89 MEN1 (0.54) NPC1MAPTMEN1KMT2ALMNA

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