SCHEMBL8802009

SCHEMBL8802009

CC(=O)Oc1cc(C)c2c3ccccc3n(Cc3ccccc3)c2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ELANE P08246 1/20 0.46
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
MITF O75030 1/20 0.43
PLA2G2A P14555 1/20 0.42
GFER P55789 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 4/20 0.42
POLB P06746 2/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL9056374 0.87 ELANE (0.47) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8801975 0.86 ELANE (0.44) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8802237 0.86 MEN1 (0.47) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8802865 0.86 ELANE (0.44) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL9056074 0.85 PTPN1 (0.50) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8805148 0.84 ELANE (0.43) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL9057381 0.83 ELANE (0.44) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL9056342 0.83 ELANE (0.42) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL8804133 0.83 ELANE (0.42) MEN1KMT2AELANEALDH1A1MAPT
SCHEMBL9057939 0.82 MEN1 (0.47) MEN1KMT2AELANEALDH1A1MAPT

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