SCHEMBL4789363

SCHEMBL4789363

CC(C)(C)CC(=O)n1ncc(C(=O)O)c1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 15/20 0.48
KEAP1 Q14145 14/20 0.48
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SPR P35270 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL24813930 0.77 NFE2L2 (0.52) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL826414 0.75 NFE2L2 (0.54) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL3678140 0.72 NFE2L2 (0.58) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL20378225 0.72 KEAP1 (0.54) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL27680970 0.69 KMT2A (0.56) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL27549598 0.69 NFE2L2 (0.54) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL21816266 0.68 NFE2L2 (0.52) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL4717984 0.68 NFE2L2 (0.52) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL21893929 0.67 KEAP1 (0.51) NFE2L2KEAP1MEN1KMT2AUSP2
SCHEMBL23732641 0.67 KEAP1 (0.42) NFE2L2KEAP1MEN1KMT2AUSP2

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-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed