SCHEMBL8723586

SCHEMBL8723586

COc1cc(Nc2cc[c]cc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
EGFR P00533 4/20 0.48
POLB P06746 1/20 0.46
RAD52 P43351 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
GAK O14976 5/20 0.44
RIPK2 O43353 4/20 0.44
COQ8A Q8NI60 4/20 0.44
NLK Q9UBE8 4/20 0.44
SRC P12931 2/20 0.44
LCK P06239 2/20 0.44
BMPR1B O00238 1/20 0.44
EPHB6 O15197 1/20 0.44
ABL1 P00519 1/20 0.44
EPHA1 P21709 1/20 0.44

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
SCHEMBL8727116 0.81 EGFR (0.45) MEN1KMT2AEGFRLMNASRC
SCHEMBL5841124 0.81 BRAF (0.69) BRAFMEN1KMT2AEGFRPOLB
SCHEMBL6193076 0.80 BRAF (0.48) BRAFMEN1KMT2AEGFRPOLB
SCHEMBL17948239 0.79 MEN1 (0.71) BRAFMEN1KMT2AEGFRPOLB
SCHEMBL3631829 0.78 BRAF (0.70) BRAFMEN1KMT2AEGFRPOLB
SCHEMBL8723583 0.76 APOBEC3A (0.52) BRAFMEN1KMT2AEGFRPOLB
SCHEMBL3537888 0.75 CA9 (0.51) MEN1KMT2AAPOBEC3GGAKMAPT
SCHEMBL5547719 0.73 L3MBTL1 (0.41) MEN1KMT2APOLBRAD52SRC
SCHEMBL6154131 0.72 MAPT (0.74) MEN1KMT2APOLBRAD52LMNA
SCHEMBL12467721 0.72 HSD17B10 (0.44) MEN1KMT2ARAD52ALOX12MAPT

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-0832091-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
WO-1996040705-A1 C-4' MODIFIED ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed