SCHEMBL4726728

SCHEMBL4726728

O=C(Nc1ccc2c(c1)c1ccccc1n2Cc1ccccc1)c1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.58
HIF1A Q16665 1/20 0.57
CNR2 P34972 1/20 0.57
MAPT P10636 7/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 4/20 0.54
KCNK3 O14649 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HCRTR1 O43613 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4730385 0.92 HDAC6 (0.59) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL4725265 0.87 NPY5R (0.72) NPY5RHIF1AMAPTMEN1KMT2A
SCHEMBL4726912 0.83 NPY5R (0.66) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL4729244 0.80 NPSR1 (0.76) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL1149521 0.80 MAPT (0.59) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL4730104 0.79 NPY5R (0.67) NPY5RMAPTMEN1KMT2ALMNA
SCHEMBL7722872 0.79 MAPT (0.75) NPY5RMAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL4599612 0.79 MEN1 (0.49) NPY5RHIF1AMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL1149959 0.78 MAPT (0.57) NPY5RHIF1AMAPTMEN1KMT2A
SCHEMBL28432409 0.78 XDH (0.67) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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
WO-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed