SCHEMBL9056003

SCHEMBL9056003

CC(=O)Oc1ccc2c([nH]c3ccccc32)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.51
GSK3B P49841 2/20 0.48
ADK P55263 2/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HTT P42858 1/20 0.47
KIF11 P52732 3/20 0.46
PARP14 Q460N5 2/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
MPL P40238 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
GABRP O00591 2/20 0.42
GABRD O14764 2/20 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
SCHEMBL4786156 0.83 SLC22A6 (0.55) SLC22A6GSK3BADKMAPTHTT
SCHEMBL8801909 0.82 SLC22A6 (0.48) SLC22A6GSK3BADKMAPTMAPK1
SCHEMBL27439693 0.80 MAPT (0.54) MAPTMAPK1NPSR1KIF11KDM4E
SCHEMBL8387341 0.77 KIF11 (0.50) MAPTMAPK1NPSR1HTTKIF11
SCHEMBL31124833 0.77 KIF11 (0.50) MAPTMAPK1NPSR1HTTKIF11
Acetic Acid SCHEMBL11537832 0.76 MPL (0.51) MAPTMAPK1NPSR1KIF11PARP14
SCHEMBL8087797 0.74 GSK3B (0.63) SLC22A6GSK3BADKMAPTNPSR1
SCHEMBL8389062 0.74 MPL (0.56) MAPTMAPK1NPSR1KIF11PARP14
SCHEMBL4185213 0.73 ACHE (0.57) SLC22A6MAPTMAPK1HTTKDM4E
SCHEMBL5964419 0.73 KIF11 (0.56) MAPTMAPK1NPSR1KIF11PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 CN disclosed
WO-1996003377-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY, LIMITED (JP) 1996-02-08 WO disclosed