SCHEMBL23188801

SCHEMBL23188801

CC(C)(C)OC(=O)N[C@H]1CSc2ccccc2N/C1=C/O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.44
▸ MAPK10 P53779 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ BRD4 O60885 4/20 0.36
▸ CREBBP Q92793 4/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SRC P12931 2/20 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
SCHEMBL3484898 0.85 EPHX2 (0.49) EPHX2MAPK10GAAALDH1A1BRD4
SCHEMBL3484895 0.85 EPHX2 (0.49) EPHX2MAPK10GAAALDH1A1BRD4
SCHEMBL9025120 0.75 EPHX2 (0.40) EPHX2MAPK10GAAIDO1KMT2A
SCHEMBL21156327 0.74 EPHX2 (0.46) EPHX2MAPK10GAAALDH1A1BRD4
SCHEMBL29270785 0.72 GAA (0.43) EPHX2GAAALDH1A1NFKB1NFKB2
SCHEMBL29270803 0.71 GAA (0.43) EPHX2GAANFKB1NFKB2RELA
SCHEMBL30675690 0.71 GAA (0.43) EPHX2GAABRD4CREBBPNFKB1
SCHEMBL25766504 0.71 GAA (0.43) EPHX2GAABRD4CREBBPNFKB1
SCHEMBL29270789 0.71 GAA (0.43) EPHX2GAABRD4CREBBPNFKB1
SCHEMBL12569080 0.70 RIPK1 (0.52) SRC

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-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 — — EP disclosed
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