SCHEMBL4727129

SCHEMBL4727129

CCn1c2ccccc2c2cc(NC(=O)c3cccc(Cl)c3)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.73
MEN1 O00255 12/20 0.73
KMT2A Q03164 12/20 0.73
KDM4E B2RXH2 9/20 0.73
LMNA P02545 7/20 0.73
ALDH1A1 P00352 6/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
HPGD P15428 5/20 0.73
HCRTR1 O43613 2/20 0.73
RAB9A P51151 2/20 0.73
NPC1 O15118 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.70
PAX8 Q06710 1/20 0.66
PLK1 P53350 1/20 0.65
NPSR1 Q6W5P4 2/20 0.65
POLB P06746 4/20 0.64
RECQL P46063 2/20 0.64
HTT P42858 2/20 0.64
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 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
SCHEMBL4725807 0.88 MAPT (0.72) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL7722872 0.88 MAPT (0.75) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL28445560 0.84 MAPT (0.70) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL19757536 0.83 MAPT (0.68) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6226561 0.82 MAPT (0.74) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL330445 0.82 MAPT (0.67) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL28906026 0.82 MAPT (0.70) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL30138765 0.82 MAPT (0.70) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL4725265 0.81 NPY5R (0.72) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL6650411 0.81 MAPT (0.72) MAPTMEN1KMT2AKDM4ELMNA

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