SCHEMBL14560244

SCHEMBL14560244

O=C1NCC2CCCN2C(=O)NCC2CCCN2C(=O)NCC2CCCN12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOS1 P29475 2/20 0.39
NOS3 P29474 1/20 0.39
CDA P32320 1/20 0.33

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
SCHEMBL14571049 1.00 GAA (0.50) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL14290050 1.00 GAA (0.50) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2878135 1.00
SCHEMBL460241 1.00
SCHEMBL24603324 0.93 MEN1 (0.44) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL2521564 0.93 MEN1 (0.44) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL12939957 0.81 KMT2A (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL23200863 0.81 KMT2A (0.46) GAAMEN1KMT2AMAPTKDM4E
SCHEMBL6531351 0.80 NOS1 (0.42) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL24446066 0.78 MEN1 (0.44) GAAMEN1KMT2AMAPTKDM4E

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
US-7186828-B2 Cyclic urea compounds and preparation thereof IMMUPHARMA (FRANCE) SA (FR) 2007-03-06 US disclosed