SCHEMBL22330633

SCHEMBL22330633

NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
GPR139 Q6DWJ6 1/20 0.54
SPHK2 Q9NRA0 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MMP1 P03956 1/20 0.50
SLC6A9 P48067 1/20 0.49
SLC6A5 Q9Y345 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CSNK1D P48730 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3090568 0.93 GAA (0.63) GAAGPR139SPHK2SMN1; SMN2KDM4E
SCHEMBL7293621 0.85 KDM4E (0.59) GAAGPR139MEN1KMT2AMMP1
SCHEMBL7515133 0.85 KDM4E (0.59) GAAGPR139MEN1KMT2AMMP1
SCHEMBL23968027 0.82 GPR139 (0.58) GAAGPR139MEN1KMT2AMMP1
SCHEMBL7674509 0.81 GAA (0.59) GAAGPR139MEN1KMT2AMMP1
Hippuric Acid SCHEMBL28770427 0.79 KDM4E (0.67) GAAGPR139SMN1; SMN2KDM4EMAPT
SCHEMBL7412271 0.79 MMP1 (0.73) GAAGPR139MMP1SLC6A9SLC6A5
Hippuric Acid SCHEMBL27404536 0.79 KDM4E (0.67) GAAGPR139SMN1; SMN2KDM4EMAPT
SCHEMBL10938763 0.79 GAA (0.52) GAAGPR139MEN1KMT2AMMP1
SCHEMBL27419582 0.79 GPR139 (0.55) GAAGPR139MEN1KMT2AMMP1

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-3523316-B1 MELANOCORTIN-1-RECEPTOR AGONISTS DSM IP ASSETS BV (NL) 2021-11-03 EP disclosed
EP-3692978-A1 NOVEL METHOD DSM IP Assets B.V. (NL) 2020-08-12 EP disclosed