SCHEMBL8388261

SCHEMBL8388261

C=C(C(=O)O)c1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC9 Q9UKV0 3/20 0.50
BACE1 P56817 2/20 0.50
HTR6 P50406 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
NCOR2 Q9Y618 1/20 0.49
APP P05067 3/20 0.49
SNCA P37840 3/20 0.49
BRD4 O60885 2/20 0.46
PLAU P00749 1/20 0.46
NR1H4 Q96RI1 2/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL27475780 0.86 HDAC8 (0.56) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL6179658 0.86 HDAC1 (0.55) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL7079532 0.82 HDAC1 (0.51) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL9057918 0.82 BACE1 (0.51) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL1608706 0.81 HDAC8 (0.72) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL28808788 0.81 HDAC8 (0.52) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL8685995 0.80 HDAC8 (0.60) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL3595480 0.79 LMNA (0.51) HDAC1HDAC2HDAC10HDAC8HDAC6
Hydrochloric Acid SCHEMBL7877748 0.77 PLAU (0.48) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL13802475 0.76 PTGER4 (0.53) HDAC1HDAC2HDAC10HDAC8HDAC6

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