SCHEMBL6168536

SCHEMBL6168536

O=C(O)c1ccn(Cc2ccccn2)c(=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
KDM4C Q9H3R0 4/20 0.52
KDM5A P29375 2/20 0.44
KDM5B Q9UGL1 2/20 0.44
KDM2B Q8NHM5 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4A O75164 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL30622467 0.80 KDM4C (0.49) KDM4EKDM4CBRD4
SCHEMBL1255936 0.79 MAPK14 (0.55) KDM4EHDAC6KMT2AMEN1BRD4
SCHEMBL4249708 0.79 KDM4E (0.56) KDM4EKDM4CHDAC3HDAC4HDAC1
SCHEMBL27383598 0.78 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AMEN1PKM
SCHEMBL17457945 0.76 ALDH1A1 (0.53) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL30497324 0.75 FGFR1 (0.54) KDM4EKDM4CHDAC1HDAC6KMT2A
SCHEMBL28710506 0.74 KDM4E (0.53) KDM4EKDM4CHDAC3HDAC4HDAC1
SCHEMBL14575654 0.73 MAPK8 (0.52) KDM4EKDM4CKDM5BALDH1A1KDM4A
SCHEMBL31333089 0.72 ADRA1D (0.51) KDM4EKDM4CHDAC3HDAC4HDAC1
SCHEMBL21650581 0.72 KMT2A (0.47) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP claimed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US claimed
CN-100346792-C Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2007-11-07 CN disclosed
EP-1448196-B1 BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-10-12 EP disclosed
CN-1589146-A Benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2005-03-02 CN disclosed
US-6599901-B1 Adenosine receptor ligands used in the control or prevention of illnesses based on the modulation of the adenosine system, such as Alzheimer's disease HOFFMAN-LA ROCHE INC. 2003-07-29 US disclosed