SCHEMBL4538133

SCHEMBL4538133

OC[C@@H](O)[C@@H](O)[C@H](O)C=NNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
KDM4E B2RXH2 4/20 0.55
GAA P10253 10/20 0.47
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
GPR39 O43194 1/20 0.47
NOX1 Q9Y5S8 2/20 0.41
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
GFER P55789 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX12 P18054 1/20 0.33
SENP7 Q9BQF6 2/20 0.32
NPC1 O15118 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
SCHEMBL4538128 1.00 MAPT (0.55) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL11190662 1.00 MAPT (0.55) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL11190667 1.00 MAPT (0.55) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL12474457 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL8502496 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL12474456 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL8502502 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL12474441 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL12474443 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL14386530 0.95 MAPT (0.54) MAPTKDM4EGAAKMT2AMEN1

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
WO-2014041446-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KANDULA MAHESH (IN) 2014-03-20 WO disclosed
WO-2012064674-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-18 WO disclosed