SCHEMBL14218923

SCHEMBL14218923

C=Cc1cc(N)ccc1OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GAA P10253 3/20 0.54
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
ALDH1A1 P00352 6/20 0.46
USP2 O75604 3/20 0.46
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL21558455 0.82 KDM4E (0.54) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL8173931 0.80 NQO1 (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15172350 0.80 L3MBTL1 (0.47) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL14609038 0.79 CYP19A1 (0.47) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL4044027 0.79 HPGD (0.64) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL16957387 0.79 TSHR (0.64) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL16950428 0.79 L3MBTL1 (0.45) MAPTMEN1KMT2AALDH1A1USP2
SCHEMBL8906528 0.77 CYP1A1 (0.45) MAPTKDM4EGAAKMT2AHTT
SCHEMBL21571920 0.77 ALDH1A1 (0.40) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL31095359 0.77 MAPT (0.78) MAPTKDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008047883-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENES FOR TREATMENT OF MENTAL DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 WO disclosed