SCHEMBL20124723

SCHEMBL20124723

C#CN(CCOC(=O)C=C)CCOC(=O)c1cccc2sc3ccccc3c(=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 13/20 0.34
MAOB P27338 13/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2023940 0.88 THRB (0.42) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL12795174 0.87 MAOA (0.39) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL16574414 0.86 SCN1A (0.43) MAOAMAOBMAPTRAB9ACYP1A2
SCHEMBL20428260 0.85 MAPT (0.34) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL11994248 0.77 ADRB2 (0.35) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL2022526 0.76 ADRB2 (0.34) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL10844883 0.76 MAOB (0.45) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL10843627 0.75 MAOB (0.44) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL12380009 0.75 MAOA (0.32) MAOAMAOBTHRBMAPTALDH1A1
SCHEMBL28295910 0.74 TSHR (0.56) MAOAMAOBMAPTALDH1A1NPC1

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
EP-3046976-B1 RADIATION CURABLE COMPOSITIONS FOR FOOD PACKAGING AGFA NV (BE) 2018-05-09 EP disclosed