SCHEMBL5880202

SCHEMBL5880202

COc1cccc(OCC(=O)NN=Cc2ccccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
ALDH1A1 P00352 7/20 0.55
LMNA P02545 7/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
ANO1 Q5XXA6 3/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5880198 1.00 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL6378261 0.90 MAPK1 (0.53) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5879834 0.90 MAPK1 (0.53) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5879820 0.89 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5879825 0.89 ALDH1A1 (0.49) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5880115 0.88 SGK1 (0.48) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5880113 0.88 SGK1 (0.48) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5880003 0.87 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5880000 0.87 ALDH1A1 (0.52) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5880283 0.86 LMNA (0.47) MAPTALDH1A1LMNASMN1; SMN2MEN1

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