SCHEMBL9705239

SCHEMBL9705239

O=C(Cl)C(CCCCOC1CCCCO1)C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL9705177 0.88 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9308239 0.85 MEN1 (0.49) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL9306096 0.83 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL2966296 0.81 MEN1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7622057 0.79 MEN1 (0.46) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28454991 0.79 MEN1 (0.44) MEN1KMT2AKDM4CL3MBTL1ALDH1A1
SCHEMBL11024894 0.79 MEN1 (0.54) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL26666204 0.78 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL15028143 0.78 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1
SCHEMBL26064114 0.78 MEN1 (0.50) MEN1KMT2AKDM4CL3MBTL1NPC1

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
EP-0502595-A2 Amide chelates, their metal complexes and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 1992-09-09 EP disclosed