SCHEMBL4419482

SCHEMBL4419482

CC(C)(C)[N+]1(C(=O)[O-])CCN(c2ccc(C(=O)Nc3c(C(N)=O)oc4ccc(Br)cc34)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 5/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 4/20 0.41
MAPK10 P53779 3/20 0.40
TP53 P04637 3/20 0.40
AHR P35869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL1849293 0.81 BACE1 (0.50) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1853608 0.77 ALDH1A1 (0.49) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1852416 0.76 HPGD (0.58) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1852128 0.72 HPGD (0.55) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1852418 0.72 HPGD (0.53) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1850906 0.70 HPGD (0.58) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1851896 0.70 KMT2A (0.52) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL1852060 0.69 ESR2 (0.49) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL13699752 0.69 NPC1 (0.55) ALDH1A1HPGDKMT2ATSHRHSD17B10
SCHEMBL29827670 0.69 ALDH1A1 (0.76) ALDH1A1HPGDKMT2ATSHRHSD17B10

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-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed