SCHEMBL1850908

SCHEMBL1850908

CC(C)(C)c1c(NC(=O)O)cccc1C(=O)Nc1c(C(N)=O)oc2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 5/20 0.48
HSD17B10 Q99714 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 6/20 0.44
MAPK10 P53779 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.38
AHR P35869 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 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
SCHEMBL1852418 0.80 HPGD (0.53) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1850316 0.75 ALDH1A1 (0.50) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1850906 0.74 HPGD (0.58) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1851522 0.73 MAPT (0.57) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL4431903 0.73 ALDH1A1 (0.42) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1852416 0.73 HPGD (0.58) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL4125534 0.71 HPGD (0.55) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1855922 0.70 RAB9A (0.43) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1848031 0.70 KDM4E (0.46) ALDH1A1HPGDKMT2AHSD17B10KDM4E
SCHEMBL1857370 0.69 KMT2A (0.54) ALDH1A1HPGDKMT2AHSD17B10KDM4E

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