SCHEMBL28586303

SCHEMBL28586303

CC(C)(C)OC(=O)N[C@@H]1Cc2ncccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.45
IDO1 P14902 1/20 0.40
RIPK1 Q13546 2/20 0.39
MAPK10 P53779 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AKT1 P31749 3/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
PDE10A Q9Y233 2/20 0.37
CRBN Q96SW2 1/20 0.36
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35

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
SCHEMBL30767982 1.00 EPHX2 (0.49) EPHX2GAAIDO1RIPK1MAPK10
SCHEMBL8273806 1.00 EPHX2 (0.49) EPHX2GAAIDO1RIPK1MAPK10
SCHEMBL10263516 0.84 EPHX2 (0.50) EPHX2GAAIDO1MAPK10NFKB1
SCHEMBL5311229 0.82 RIPK1 (0.45) RIPK1BRD4CRBNPYGLPYGM
SCHEMBL14280762 0.81 RIPK1 (0.42) RIPK1BRD4CRBNPYGLPYGM
SCHEMBL8273799 0.81 EPHX2 (0.49) EPHX2GAARIPK1NFKB1NFKB2
SCHEMBL29619167 0.81 EPHX2 (0.49) EPHX2GAARIPK1NFKB1NFKB2
SCHEMBL29900496 0.80 EPHX2 (0.63) EPHX2GAAIDO1MAPK10NFKB1
SCHEMBL651278 0.80 EPHX2 (0.63) EPHX2GAAIDO1MAPK10NFKB1
SCHEMBL4806148 0.80 EPHX2 (0.63) EPHX2GAAIDO1MAPK10NFKB1

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
CN-107709301-B Pyrazole derivative or pharmacologically acceptable salt thereof 橘生药品工业株式会社 2021-06-22 CN disclosed