SCHEMBL7707490

SCHEMBL7707490

C1=CCC2=Nc3ccccc3C2=C1.O=c1c(O)c(O)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
APAF1 O14727 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
HK1 P19367 1/20 0.33
GALK1 P51570 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
SRC P12931 1/20 0.33
CTRB1 P17538 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL272379 0.88 IDO1 (0.31)
SCHEMBL29473567 0.88 IDO1 (0.31)
SCHEMBL27458463 0.86 IDO1 (0.30)
SCHEMBL28599272 0.69
SCHEMBL3317555 0.67 MYC (0.37) ALDH1A1MAPTKDM4ELMNAL3MBTL1
SCHEMBL30801318 0.66
SCHEMBL4609898 0.66
SCHEMBL27839465 0.65 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31299755 0.65
SCHEMBL6131150 0.65 TTR (0.30)

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-1165693-A2 SQUARAINE DYES Amersham Pharmacia Biotech UK Limited (GB) 2002-01-02 EP disclosed
WO-2000058405-A2 SQUARAINE DYES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-05 WO disclosed