SCHEMBL28042792

SCHEMBL28042792

NCCN=Cc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.52
MAOA P21397 2/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.48
G6PC1 P35575 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
USP2 O75604 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL12714959 1.00 NR4A1 (0.52) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL12714966 0.89 NR4A1 (0.49) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL4250239 0.88 NR4A1 (0.59) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL4250235 0.88 NR4A1 (0.59) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL12714965 0.85 NR4A1 (0.55) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL8719353 0.85 NR4A1 (0.55) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL22089474 0.85 NR4A1 (0.55) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL16293807 0.81 NR4A1 (0.52) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL9914146 0.81 NR4A1 (0.52) NR4A1MAOAKMT2AMEN1NPC1
SCHEMBL10308820 0.81 NR4A1 (0.52) NR4A1MAOAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105148870-B Chelating function fiber of contents of many kinds of heavy metal ion and preparation method thereof can be removed simultaneously 天津大学 2017-10-17 CN claimed
CN-105148870-A Chelating functional fiber able to remove a variety of heavy metal ions simultaneously and preparation method thereof UNIV TIANJIN 2015-12-16 CN claimed
CN-105148870-B Chelating function fiber of contents of many kinds of heavy metal ion and preparation method thereof can be removed simultaneously 天津大学 2017-10-17 CN disclosed
CN-105148870-B Chelating function fiber of contents of many kinds of heavy metal ion and preparation method thereof can be removed simultaneously 天津大学 2017-10-17 CN disclosed
CN-105148870-A Chelating functional fiber able to remove a variety of heavy metal ions simultaneously and preparation method thereof UNIV TIANJIN 2015-12-16 CN disclosed