SCHEMBL6017630

SCHEMBL6017630

CC(C)(C)OC(=O)c1nc(CBr)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6573446 0.84 FAAH (0.34) MAPT
SCHEMBL9811868 0.83 HSD17B10 (0.32) HSD17B10
SCHEMBL3658794 0.82 NPSR1 (0.36) MAPTHSD17B10
SCHEMBL4714174 0.82 NR1H2 (0.34)
SCHEMBL6958668 0.81 NR1H2 (0.33)
SCHEMBL4711556 0.81 ALDH1A1 (0.31) MAPT
SCHEMBL7275965 0.81 NR1H2 (0.35) TP53MAPT
SCHEMBL2552479 0.79 ABCG2 (0.32) TP53MAPTALOX15HSD17B10
SCHEMBL5691656 0.79 NPSR1 (0.45) MAPT
SCHEMBL5172213 0.77 ABCG2 (0.35) TP53MAPTALOX15HSD17B10

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-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed