SCHEMBL14392811

SCHEMBL14392811

Bc1c(OC)ccc2c(O)cc(-c3csc(NC(C)C)n3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.47
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRMT5 O14744 1/20 0.37

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
SCHEMBL1167213 0.88 TYR (0.48) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL9892687 0.87 TYR (0.40) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL693184 0.87 TYR (0.47) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL10194576 0.87 TYR (0.47) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL2633359 0.87 TYR (0.47) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL2633308 0.87 TYR (0.47) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL7921060 0.86 TYR (0.51) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL14393043 0.85 TYR (0.49) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL13763578 0.79 TYR (0.43) TYRMEN1KMT2AMAPTMAPK1
SCHEMBL8125938 0.79 TYR (0.52) TYRMEN1KMT2AMAPTGAA

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
EP-1654261-B1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2007-11-14 EP disclosed