SCHEMBL30887231

SCHEMBL30887231

C=C(C)C(=O)OCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
APEX1 P27695 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.37
FFAR1 O14842 1/20 0.36
GSTP1 P09211 4/20 0.36
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
NPSR1 Q6W5P4 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL8383168 1.00 HTT (0.43) HTTPOLBTDP1APEX1L3MBTL1
SCHEMBL8385683 0.94 POLB (0.52) HTTPOLBTDP1APEX1L3MBTL1
SCHEMBL30887155 0.94 POLB (0.52) HTTPOLBTDP1APEX1L3MBTL1
SCHEMBL3839927 0.89 POLB (0.43) HTTPOLBTDP1APEX1L3MBTL1
SCHEMBL3835518 0.89 HTT (0.43) HTTPOLBTDP1APEX1L3MBTL1
SCHEMBL7125661 0.86 L3MBTL1 (0.38) HTTPOLBTDP1L3MBTL1FFAR1
SCHEMBL8910922 0.85 POLB (0.38) HTTPOLBTDP1APEX1GSTP1
SCHEMBL29666025 0.85 THRB (0.45) HTTPOLBTDP1L3MBTL1FFAR1
SCHEMBL819249 0.85 THRB (0.45) HTTPOLBTDP1L3MBTL1FFAR1
SCHEMBL30887216 0.84 HTT (0.51) HTTPOLBTDP1APEX1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024074814-A1 COMPOSITION COMPRISING A FUNCTIONALISED DYE AND A DIALLYLAMINE COMONOMER AND USE SUBLINO LIMITED (GB) 2024-04-11 WO disclosed