SCHEMBL4728971

SCHEMBL4728971

O=C(O)CCC(=O)Nc1ccc2c(c1)c1ccccc1n2Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPY5R Q15761 8/20 0.60
RORC P51449 4/20 0.58
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
CYP19A1 P11511 1/20 0.53
CYP1A2 P05177 1/20 0.52

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
SCHEMBL4728967 1.00 KDM4E (0.64) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4728393 0.88 KDM4E (0.83) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4728399 0.88 KDM4E (0.83) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4730104 0.87 NPY5R (0.67) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4729244 0.83 NPSR1 (0.76) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4728698 0.83 MAPT (0.64) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4728749 0.83 NPY5R (0.78) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4730385 0.82 HDAC6 (0.59) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL21889882 0.82 P2RX4 (0.58) KDM4EMAPTMEN1LMNAKMT2A
SCHEMBL4725134 0.80 MAPT (0.77) KDM4EMAPTMEN1LMNAKMT2A

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