SCHEMBL2770168

SCHEMBL2770168

O=C(O)CCCC1=NCCc2c1[nH]c1ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
ATM Q13315 1/20 0.65
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
ADRB2 P07550 2/20 0.50
HTR7 P34969 2/20 0.50
POLB P06746 2/20 0.50
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR5A P47898 1/20 0.50
HTR6 P50406 1/20 0.50
NISCH Q9Y2I1 1/20 0.50
EGFR P00533 2/20 0.48
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
HDAC3 O15379 1/20 0.42
ADRA1A P35348 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
SCHEMBL1515596 0.86 MEN1 (0.63) MEN1KMT2AATMKDM4EMAPT
SCHEMBL3857654 0.82 MEN1 (0.88) MEN1KMT2AATMKDM4EMAPT
SCHEMBL12762818 0.81 MEN1 (0.59) MEN1KMT2AATMKDM4EMAPT
SCHEMBL28121389 0.80 MEN1 (0.64) MEN1KMT2AATMKDM4EMAPT
SCHEMBL3862082 0.79 MEN1 (0.78) MEN1KMT2AATMKDM4EMAPT
SCHEMBL28753703 0.78 MEN1 (0.59) MEN1KMT2AATMKDM4EMAPT
SCHEMBL28121377 0.76 MEN1 (0.59) MEN1KMT2AATMKDM4EMAPT
SCHEMBL28846477 0.76 MEN1 (0.61) MEN1KMT2AATMKDM4EMAPT
SCHEMBL30706300 0.76 MEN1 (0.69) MEN1KMT2AATMKDM4EMAPT
SCHEMBL3868410 0.76 MEN1 (0.69) MEN1KMT2AATMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1998770-B1 USE OF CANTHIN-6-ONE AND ITS ANALOGUES IN THE TREATMENT OF PATHOLOGIES LINKED TO MYCOBACTERIA INST RECH DEVELOPPEMENT IRD (FR) 2010-04-21 EP disclosed
EP-1998770-A1 USE OF CANTFFLN-6-ONE AND ITS ANALOGUES IN THE TREATMENT OF PATHOLOGIES LINKED TO MYCOBACTERIA Institut de Recherche pour le Développement (FR) 2008-12-10 EP disclosed
WO-2007110500-A1 USE OF CANTHIN-6-ONE AND ITS ANALOGUES IN THE TREATMENT OF PATHOLOGIES LINKED TO MYCOBACTERIA INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2007-10-04 WO disclosed