SCHEMBL9281183

SCHEMBL9281183

COc1ccnc(CNCCNCCNCc2nccc(OC)c2OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.55
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 4/20 0.52
ADRA1D P25100 4/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1B P35368 4/20 0.52
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9683450 0.91 LMNA (0.49) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL9681836 0.89 LMNA (0.47) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL9236697 0.83 L3MBTL1 (0.40) BCHEKDM4EL3MBTL1ALDH1A1
SCHEMBL5583748 0.82 KDM4E (0.49) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL9682259 0.81 KDM4E (0.41) BCHEKDM4EL3MBTL1HTR1AADRA1D
Hydrochloric Acid SCHEMBL10371618 0.81 KDM4E (0.51) BCHEKDM4EL3MBTL1HTR1AADRA1D
Hydrochloric Acid SCHEMBL10370912 0.80 LMNA (0.46) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL5583648 0.76 BCHE (0.50) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL9237762 0.74 BCHE (0.49) BCHEKDM4EL3MBTL1HTR1AADRA1D
SCHEMBL4898090 0.73 LTA4H (0.45) KDM4EL3MBTL1HTR1ALMNAMAPK1

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-0648209-A1 CONTRAST AGENTS FOR MR DIAGNOSIS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-04-19 EP disclosed
WO-1994001406-A1 CONTRAST AGENTS FOR MR DIAGNOSIS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-01-20 WO disclosed