SCHEMBL27667571

SCHEMBL27667571

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.49
▸ MAPT P10636 6/20 0.36
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ F2 P00734 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ FFAR1 O14842 1/20 0.32

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
SCHEMBL29512645 0.91 THRB (0.50) THRBMAPTKDM4EKMT2AGAA
SCHEMBL16192156 0.91 THRB (0.50) THRBMAPTKDM4EKMT2AGAA
SCHEMBL28737915 0.86 THRB (0.47) THRBMAPTKDM4EKMT2AGAA
SCHEMBL2237938 0.85 THRB (0.51) THRBMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL2240459 0.85 THRB (0.56) THRBMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL29512550 0.85 THRB (0.56) THRBMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL28047290 0.84 HTT (0.41) MAPTKDM4ESMN1; SMN2KMT2AGAA
SCHEMBL14017595 0.84 THRB (0.51) THRBMAPTKDM4EKMT2AGAA
SCHEMBL2240376 0.83 THRB (0.49) THRBMAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL29512611 0.83 THRB (0.49) THRBMAPTKDM4ESMN1; SMN2KMT2A

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
CN-105340084-A Backsheet for photovoltaic modules AGFA GEVAERT NV 2016-02-17 — — CN disclosed
CN-1912042-A Thermosetting adhesive and pressure-sensitive adhesive composition, thermosetting adhesive and pressure sensitive adhesive tape or sheet and wiring circuit board NITTO DENKO CORP (JP) 2007-02-14 — — CN disclosed
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