SCHEMBL8387262

SCHEMBL8387262

O=C(O)CC1CC(=O)c2c(n(Cc3ccccc3)c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX4 Q99571 1/20 0.46
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ENPP2 Q13822 2/20 0.43
CYP19A1 P11511 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL27470534 0.88 HDAC6 (0.46) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL8387037 0.81 TBXA2R (0.52) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL27470537 0.80 P2RX4 (0.50) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL8390473 0.79 TBXA2R (0.52) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL9056045 0.78 HDAC1 (0.45) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL27470535 0.77 HDAC6 (0.44) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL8387400 0.75 HDAC1 (0.58) HDAC1HDAC6KDM4EMEN1KMT2A
SCHEMBL6925178 0.73 HDAC1 (0.70) HDAC1HDAC6KDM4EP2RX4HPGD
SCHEMBL30480036 0.73 HDAC1 (0.70) HDAC1HDAC6KDM4EP2RX4HPGD
SCHEMBL8391330 0.73 TBXA2R (0.48) HDAC1HDAC6KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
EP-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed