SCHEMBL5260773

SCHEMBL5260773

COc1nc(OC)c(NC(=O)c2ccco2)c(OC)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
PABPC1 P11940 1/20 0.52
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 3/20 0.51
PKM P14618 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
AKT1 P31749 1/20 0.50
KDM4E B2RXH2 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL5692749 0.86 NPC1 (0.52) KMT2AMEN1PABPC1NPC1RAB9A
SCHEMBL5691055 0.77 RAB9A (0.63) KMT2AMEN1PABPC1NPC1RAB9A
SCHEMBL5692781 0.73 CACNA1F (0.49) KMT2AALDH1A1CHRM4
SCHEMBL5691252 0.73 RAB9A (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5692659 0.72 HSD17B10 (0.68) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL11150597 0.71 ATM (0.69) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6633618 0.71 KMT2A (0.89) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6638013 0.70 TSHR (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL655417 0.70 RAB9A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8990610 0.69 NPC1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824862-A1 SILICON COMPOUNDS AND THEIR USE Takeda Cambridge Limited (GB) 2007-08-29 EP disclosed
WO-2006064263-A1 SILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LIMITED (GB) 2006-06-22 WO disclosed
EP-1648906-A1 ORGANOSILICON COMPOUNDS AND THEIR USE Paradigm Therapeutics Limited (GB) 2006-04-26 EP disclosed
EP-1644385-A1 SILICON COMPOUNDS AND THEIR USE Paradigm Therapeutics Limited (GB) 2006-04-12 EP disclosed
WO-2005005443-A1 ORGANOSILICON COMPOUNDS AND THEIR USE PARADIGM THERAPEUTICS LTD. (GB) 2005-01-20 WO disclosed
WO-2005005442-A1 SILICON COMPOUNDS AND THEIR USE PARADIGM THERAPEUTICS LTD. (GB) 2005-01-20 WO disclosed