SCHEMBL4725265

SCHEMBL4725265

CCn1c2ccccc2c2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.72
MAPT P10636 14/20 0.69
MEN1 O00255 11/20 0.69
KMT2A Q03164 11/20 0.69
KDM4E B2RXH2 7/20 0.69
LMNA P02545 7/20 0.69
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HPGD P15428 3/20 0.69
HCRTR1 O43613 2/20 0.69
RAB9A P51151 2/20 0.69
PAX8 Q06710 1/20 0.69
NPSR1 Q6W5P4 2/20 0.67
POLB P06746 4/20 0.66
RECQL P46063 1/20 0.66
NPC1 O15118 1/20 0.66
HTT P42858 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
HIF1A Q16665 1/20 0.63
USP2 O75604 1/20 0.62

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
SCHEMBL7722872 0.90 MAPT (0.75) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4729795 0.87 MAPT (0.66) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4726728 0.87 NPY5R (0.58) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL6226561 0.87 MAPT (0.74) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4726912 0.86 NPY5R (0.66) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4725807 0.86 MAPT (0.72) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL4728014 0.86 MAPT (0.72) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL14082583 0.85 MAPT (0.63) NPY5RMAPTMEN1KMT2AKDM4E
SCHEMBL14252937 0.84 MAPT (0.64) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4728662 0.84 MAPT (0.70) NPY5RMAPTMEN1KMT2AKDM4E

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 2 patents. 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
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed