SCHEMBL8485017

SCHEMBL8485017

CN(C)c1ccc(C=NNc2nc(=O)[nH]c3[nH]cnc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
GAA P10253 5/20 0.49
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
KDM4E B2RXH2 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
POLB P06746 3/20 0.44
MPO P05164 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
NOX3 Q9HBY0 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
GFER P55789 2/20 0.43
CTH P32929 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 2/20 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
SCHEMBL8486315 0.87 MAPT (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8484747 0.85 NPC1 (0.51) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL8482019 0.85 GAA (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8480626 0.85 XDH (0.48) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL8484222 0.85 RAB9A (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8484216 0.85 RAB9A (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8484282 0.84 XDH (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8484617 0.81 XDH (0.52) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8487763 0.77 NOX3 (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8480366 0.77 XDH (0.54) MAPTALDH1A1GAAMEN1KMT2A

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
US-5990118-A NOVEL PURINE COMPOUNDS AND TRIAZOLOPURINE COMPOUNDS WHICH INHIBIT XANTHINE OXIDASE; REMEDIES FOR HYPERURICEMIA, AND AS PREVENTIVE AND THERAPEUTIC AGENTS FOR GOUT YAMASA CORPORATION (JP) 1999-11-23 US disclosed
EP-0811624-A1 PURINE COMPOUNDS AND XANTHINE OXIDASE INHIBITORS YAMASA CORPORATION (JP) 1997-12-10 EP disclosed