SCHEMBL7134237

SCHEMBL7134237

Cc1c(NS(C)(=O)=O)ccc(NCc2ccccc2)c1Cc1ccc2c(c1)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ CDC7 O00311 1/20 0.43
▸ EEF2K O00418 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DYRK3 O43781 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ ROS1 P08922 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ MATK P42679 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ CLK2 P49760 1/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ PLK1 P53350 1/20 0.43

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
SCHEMBL6933847 0.83 KMT2A (0.47) MEN1KMT2APKMALDH1A1HPGD
SCHEMBL6933061 0.75 NR3C1 (0.43) ALDH1A1HPGDMAPTHTTNPC1
SCHEMBL3962850 0.73 NR3C1 (0.71) —
SCHEMBL3967895 0.71 NR3C1 (0.59) —
SCHEMBL3965422 0.67 NR3C1 (0.71) —
SCHEMBL1422874 0.67 ALDH1A1 (0.58) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL6970033 0.67 L3MBTL1 (0.64) MEN1KMT2APKMALDH1A1GAA
SCHEMBL647938 0.66 ALDH1A1 (0.70) MEN1KMT2AALDH1A1HPGDKDM4E
Hydrochloric Acid SCHEMBL4942544 0.66 ALDH1A1 (0.56) MEN1KMT2APKMALDH1A1HPGD
SCHEMBL22718164 0.65 KMT2A (0.51) MEN1KMT2AALDH1A1HPGDKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 — — EP disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 — — WO disclosed
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