SCHEMBL4729244

SCHEMBL4729244

CC(=O)Nc1ccc2c(c1)c1ccccc1n2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.76
LMNA P02545 4/20 0.67
NPY5R Q15761 4/20 0.60
MAPT P10636 7/20 0.60
KDM4E B2RXH2 4/20 0.60
NPC1 O15118 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP19A1 P11511 1/20 0.57
ALDH1A1 P00352 1/20 0.55
RORC P51449 2/20 0.54
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL9056683 0.92 NPSR1 (0.64) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL7722815 0.86 NPSR1 (1.00) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL4725134 0.86 MAPT (0.77) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL4730104 0.85 NPY5R (0.67) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL4730385 0.85 HDAC6 (0.59) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL1149521 0.84 MAPT (0.59) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL3385808 0.84 MEN1 (0.60) NPSR1LMNAMAPTKDM4ENPC1
SCHEMBL4728698 0.84 MAPT (0.64) LMNANPY5RMAPTKDM4EMEN1
SCHEMBL4728749 0.84 NPY5R (0.78) NPSR1LMNANPY5RMAPTKDM4E
SCHEMBL28389333 0.83 ALDH1A1 (0.67) NPSR1KDM4ECYP19A1ALDH1A1HPGD

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