SCHEMBL5048596

SCHEMBL5048596

Bc1cc(C2C(C#N)=C(N)Oc3c(N)cc4ccccc4c32)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYB P10242 15/20 0.62
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4566913 0.90 MYB (0.62) MYBKDM4EMEN1MAPTKMT2A
SCHEMBL5044963 0.83 MYB (0.89) MYB
SCHEMBL6014330 0.83 MYB (0.55) MYBKDM4EMEN1MAPTKMT2A
SCHEMBL5044814 0.79 MYB (0.58) MYBKDM4EMEN1MAPTKMT2A
SCHEMBL14319090 0.77 MYB (0.62) MYBKDM4EMEN1MAPTKMT2A
SCHEMBL4335346 0.77 MYB (1.00) MYB
SCHEMBL5045402 0.76 MYB (0.67) MYBNPC1SMN1; SMN2
SCHEMBL5048527 0.74 HSD17B10 (0.52) MYBKDM4EMEN1MAPTKMT2A
SCHEMBL20368759 0.73 MYB (0.90) MYB
SCHEMBL4249281 0.73 POLB (0.62) MYBKDM4EMEN1MAPTKMT2A

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
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed