SCHEMBL28047290

SCHEMBL28047290

C=C(C)C(=O)OCCOc1ccc(-c2nc(-c3ccccc3CN)nc(-c3ccccc3CN)n2)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MAPT P10636 13/20 0.37
▸ NPSR1 Q6W5P4 9/20 0.37
▸ KMT2A Q03164 9/20 0.37
▸ MEN1 O00255 8/20 0.37
▸ LMNA P02545 7/20 0.37
▸ ALOX12 P18054 4/20 0.37
▸ TP53 P04637 6/20 0.37
▸ MAPK1 P28482 6/20 0.37
▸ USP2 O75604 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL16191553 0.92 HTT (0.42) HTTPOLBTDP1APEX1MAPT
SCHEMBL29512635 0.92 HTT (0.42) HTTPOLBTDP1APEX1MAPT
SCHEMBL28738003 0.87 POLB (0.40) HTTPOLBTDP1APEX1MAPT
SCHEMBL3839927 0.86 POLB (0.43) HTTPOLBTDP1APEX1MAPT
SCHEMBL8518667 0.85 POLB (0.46) HTTPOLBTDP1APEX1MAPT
SCHEMBL2237946 0.85 POLB (0.46) HTTPOLBTDP1APEX1MAPT
SCHEMBL29512556 0.85 POLB (0.46) HTTPOLBTDP1APEX1MAPT
SCHEMBL29512503 0.84 MAPT (0.48) HTTPOLBTDP1APEX1MAPT
SCHEMBL16191348 0.84 MAPT (0.48) HTTPOLBTDP1APEX1MAPT
SCHEMBL27667571 0.84 THRB (0.49) HTTPOLBTDP1MAPTNPSR1

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
CN-105340084-A Backsheet for photovoltaic modules AGFA GEVAERT NV 2016-02-17 — — CN disclosed
Send feedback