SCHEMBL21156327

SCHEMBL21156327

CC(C)(C)OC(=O)N[C@H]1CSc2ccccc2NC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ KDM1A O60341 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ CREBBP Q92793 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 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
SCHEMBL20344426 0.79 EPHX2 (0.58) EPHX2KDM1AMAOBKMT2AMAPK10
SCHEMBL24981627 0.77 EPHX2 (0.53) EPHX2KDM1AMAOBKMT2AMAPK10
SCHEMBL6422878 0.76 EPHX2 (0.41) EPHX2KMT2AMEN1NPC1MAPK10
SCHEMBL3484895 0.76 EPHX2 (0.49) EPHX2KDM1AMAOBMAPK10IDO1
SCHEMBL3484898 0.76 EPHX2 (0.49) EPHX2KDM1AMAOBMAPK10IDO1
SCHEMBL23188801 0.74 EPHX2 (0.44) EPHX2KDM1AMAOBKMT2AMAPK10
SCHEMBL19370955 0.69 GAA (0.47) EPHX2KDM1AMAOBBRD4CREBBP
SCHEMBL6068960 0.68 EPHX2 (0.45) EPHX2KDM1AMAOBKMT2ANFKB1
SCHEMBL6068965 0.68 EPHX2 (0.45) EPHX2KDM1AMAOBKMT2ANFKB1
SCHEMBL7819752 0.68 EPHX2 (0.47) EPHX2KDM1AMAOBKMT2AMAPK10

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
EP-3508484-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-07-10 — — EP disclosed
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