SCHEMBL6028951

SCHEMBL6028951

Cc1c(NC(=O)O)cc2c(c1C)OC(C)(CI)C2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.35
ALOX5 P09917 2/20 0.33
AKT1 P31749 3/20 0.32
PDPK1 O15530 1/20 0.32
PHLPP1 O60346 1/20 0.32
ILK Q13418 1/20 0.32
GPR35 Q9HC97 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL6030634 0.85 CA12 (0.33) IRAK4
SCHEMBL8713543 0.72 POLB (0.41) IRAK4TP53MEN1KMT2A
SCHEMBL6030474 0.67 LMNA (0.38) IRAK4KMT2A
SCHEMBL22695127 0.67 PARP1 (0.35)
SCHEMBL22688797 0.67 PTGDR2 (0.31)
SCHEMBL22688926 0.67 FFAR4 (0.36)
SCHEMBL22688786 0.66 AKT1 (0.32) AKT1
SCHEMBL660010 0.65
SCHEMBL3597744 0.65 GPR35 (0.35) GPR35TSHR
SCHEMBL17224775 0.62 ALOX5 (0.38) ALOX5AKT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008940-B1 Dihydrobenzofuran derivatives, process for the preparing thereof and agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-07 US disclosed
EP-1213290-B1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA PHARMACEUTICAL (JP) 2005-04-20 EP disclosed
EP-1213290-A1 DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-12 EP disclosed