SCHEMBL29960426

SCHEMBL29960426

CC(C)(C)OC(=O)NCC1NC(=O)Nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
MAPK10 P53779 1/20 0.43
CACNA1G O43497 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
EPHX2 P34913 2/20 0.40
EGFR P00533 1/20 0.40
PARP1 P09874 1/20 0.39
TDO2 P48775 1/20 0.39
DRD2 P14416 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
ACACB O00763 1/20 0.38
KDM4A O75164 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL8252980 0.80 GAA (0.38) IDO1MEN1KMT2AEPHX2
SCHEMBL29960414 0.79 IDO1 (0.48) IDO1MAPK10CACNA1GBRD4CREBBP
SCHEMBL29960605 0.77 IDO1 (0.41) IDO1CREBBPEGFRTDO2
SCHEMBL25315444 0.77 IDO1 (0.66) IDO1MAPK10CACNA1GTDO2MALT1
SCHEMBL29960147 0.77 IDO1 (0.46) IDO1MAPK10MEN1KMT2AATM
SCHEMBL29960713 0.76 IDO1 (0.46) IDO1MAPK10BRD4CREBBPEPHX2
Hydrochloric Acid SCHEMBL29960558 0.76 IDO1 (0.40) IDO1CREBBPEGFRTDO2
SCHEMBL3637629 0.74 MALT1 (0.47) IDO1KMT2ADRD2MALT1ACACB
SCHEMBL31343631 0.73 AKT1 (0.43) IDO1MAPK10BRD4CREBBPEPHX2
SCHEMBL13113803 0.69 MTNR1A (0.66) EPHX2DRD2ACACB

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
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed