SCHEMBL856049

SCHEMBL856049

CC(C)(C)OC(=O)N(CNS(=O)(=O)c1cc(Br)cnc1N)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
GFER P55789 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.41
SHMT2 P34897 1/20 0.40

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
SCHEMBL856285 0.75 HSD17B10 (0.53) HSD17B10GAAKMT2AMEN1PLA2G1B
SCHEMBL856413 0.74 HSD17B10 (0.60) HSD17B10KDM4EGAAKMT2AGFER
SCHEMBL859649 0.74 HSD17B10 (0.53) HSD17B10KDM4EGAAKMT2AMEN1
SCHEMBL855842 0.73 MEN1 (0.44) HSD17B10KDM4EGAAKMT2AMEN1
SCHEMBL858759 0.73 HSD17B10 (0.56) HSD17B10KDM4EGAAKMT2AGFER
SCHEMBL857673 0.73 HSD17B10 (0.52) HSD17B10KDM4EGAAKMT2AMEN1
SCHEMBL855801 0.73 HSD17B10 (0.56) HSD17B10KDM4EGAAKMT2AGFER
SCHEMBL857674 0.73 HSD17B10 (0.52) HSD17B10KDM4EGAAKMT2AMEN1
SCHEMBL855802 0.73 HSD17B10 (0.56) HSD17B10KDM4EGAAKMT2AGFER
SCHEMBL859258 0.73 HSD17B10 (0.52) HSD17B10KDM4EGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed