SCHEMBL1850906

SCHEMBL1850906

CC(C)(C)N(C(=O)O)c1cccc(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.58
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 4/20 0.57
HSD17B10 Q99714 4/20 0.57
TSHR P16473 3/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPK10 P53779 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPT P10636 8/20 0.45
TP53 P04637 3/20 0.43
AHR P35869 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2A P29274 1/20 0.43
CASP1 P29466 1/20 0.43
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
AKR1C4 P17516 1/20 0.38

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
SCHEMBL1852416 0.89 HPGD (0.58) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL4125534 0.79 HPGD (0.55) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1852418 0.77 HPGD (0.53) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL13699719 0.77 MAPT (0.60) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1853596 0.77 HPGD (0.52) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1850908 0.74 ALDH1A1 (0.49) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1852128 0.74 HPGD (0.55) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1851522 0.74 MAPT (0.57) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL4552452 0.73 TSHR (0.52) HPGDALDH1A1KMT2AHSD17B10TSHR
SCHEMBL1854355 0.72 KMT2A (0.43) HPGDALDH1A1KMT2AHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed