SCHEMBL4728698

SCHEMBL4728698

COCC(=O)Nc1ccc2c(c1)c1ccccc1n2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.64
KDM4E B2RXH2 8/20 0.64
HPGD P15428 3/20 0.64
NPY5R Q15761 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 3/20 0.60
TP53 P04637 4/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RORC P51449 2/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.54

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
SCHEMBL4726915 0.85 NPY5R (0.61) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4730104 0.85 NPY5R (0.67) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4729244 0.84 NPSR1 (0.76) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4728749 0.83 NPY5R (0.78) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4728967 0.83 KDM4E (0.64) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4728971 0.83 KDM4E (0.64) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4725134 0.81 MAPT (0.77) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4730385 0.80 HDAC6 (0.59) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4729061 0.78 RORC (0.70) MAPTKDM4EHPGDNPY5RSMN1; SMN2
SCHEMBL4728842 0.78 NPY5R (0.83) MAPTKDM4EHPGDNPY5RSMN1; 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