SCHEMBL4730385

SCHEMBL4730385

O=C(Nc1ccc2c(c1)c1ccccc1n2Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC10 Q969S8 1/20 0.59
MAPT P10636 11/20 0.59
MEN1 O00255 10/20 0.59
KMT2A Q03164 10/20 0.59
LMNA P02545 5/20 0.59
KDM4E B2RXH2 7/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HCRTR1 O43613 2/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.58
PAX8 Q06710 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
NPY5R Q15761 1/20 0.56
POLB P06746 4/20 0.56
RECQL P46063 1/20 0.56

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
SCHEMBL4726728 0.92 NPY5R (0.58) HDAC6HDAC1HDAC10MAPTMEN1
SCHEMBL7722872 0.87 MAPT (0.75) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4729244 0.85 NPSR1 (0.76) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL1149521 0.85 MAPT (0.59) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4730104 0.84 NPY5R (0.67) HDAC6MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL1149959 0.83 MAPT (0.57) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4727925 0.82 NPY5R (0.65) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4728967 0.82 KDM4E (0.64) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4728971 0.82 KDM4E (0.64) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4725134 0.82 MAPT (0.77) MAPTMEN1KMT2ALMNAKDM4E

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