SCHEMBL8801909

SCHEMBL8801909

CSc1c(OC(C)=O)ccc2c1[nH]c1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.48
GSK3B P49841 2/20 0.42
ADK P55263 2/20 0.42
PARP14 Q460N5 2/20 0.41
HTT P42858 1/20 0.40
MPL P40238 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM1 P11309 1/20 0.40
KIF11 P52732 3/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9056775 0.87 PARP14 (0.40) SLC22A6PARP14HTTMPLPIM3
SCHEMBL9056003 0.82 SLC22A6 (0.51) SLC22A6GSK3BADKPARP14HTT
SCHEMBL8388289 0.81 SLC22A6 (0.48) SLC22A6GSK3BADKHTTKIF11
SCHEMBL8391232 0.81 MAPT (0.48) MPLMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4786156 0.80 SLC22A6 (0.55) SLC22A6GSK3BADKPARP14HTT
SCHEMBL9057701 0.80 HTT (0.49) SLC22A6GSK3BADKHTTKIF11
SCHEMBL8803144 0.77 SLC22A6 (0.41) SLC22A6GSK3BADKHTTMAPT
SCHEMBL8802131 0.76 SLC22A6 (0.40) SLC22A6GSK3BADKHTTKIF11
SCHEMBL8801465 0.75 SLC22A6 (0.40) SLC22A6GSK3BADKHTTMAPT
SCHEMBL8387263 0.75 KIF11 (0.47) PARP14MPLPIM3PIM1KIF11

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
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