SCHEMBL24096619

SCHEMBL24096619

CC(C)(C)OC(=O)NC1CNc2cc(F)c(F)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.65
▸ GAA P10253 1/20 0.39
▸ HDAC8 Q9BY41 7/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL464347 0.80 EPHX2 (0.70) EPHX2GAAHDAC8KDM1AMAOB
SCHEMBL3287288 0.80 EPHX2 (0.70) EPHX2GAAHDAC8NFKB1NFKB2
SCHEMBL464351 0.79 EPHX2 (1.00) EPHX2GAAHDAC8KDM1AMAOB
SCHEMBL4988882 0.78 EPHX2 (0.47) EPHX2GAANFKB1NFKB2RELA
SCHEMBL4988872 0.78 EPHX2 (0.47) EPHX2GAANFKB1NFKB2RELA
SCHEMBL461147 0.77 EPHX2 (0.65) EPHX2HDAC8CTSK
SCHEMBL12894150 0.77 EPHX2 (0.65) EPHX2GAAHDAC8KDM1AMAOB
SCHEMBL30767948 0.77 EPHX2 (0.73) EPHX2GAAHDAC8NFKB1NFKB2
SCHEMBL20803979 0.75 EPHX2 (0.80) EPHX2GAANFKB1NFKB2RELA
SCHEMBL31552619 0.75 EPHX2 (0.59) EPHX2HDAC8KDM1AMAOBPARP1

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-2021249417-A1 HETEROCYCLIC COMPOUND AND DERIVATIVE THEREOF 赛诺哈勃药业(成都)有限公司 2021-12-16 — — WO disclosed
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