SCHEMBL5029231

SCHEMBL5029231

c1ncnc(NNc2ncncn2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
EPHX2 P34913 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
SCHEMBL414785 0.73
SCHEMBL10541074 0.73
SCHEMBL585550 0.73
SCHEMBL7754532 0.73
SCHEMBL515370 0.72 ALDH1A1 (0.38) HSP90AA1EPHX2
SCHEMBL5431406 0.71 HSP90AA1 (0.36) HSP90AA1
SCHEMBL10382992 0.69 RAB9A (0.44) HSP90AA1
SCHEMBL8838413 0.69 HSP90AA1 (0.35) HSP90AA1
SCHEMBL13519394 0.67
SCHEMBL2586179 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1009971-A None JP disclosed
US-7399841-B1 High-energy 1,3,5-triazinyl diazenes, and process thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-07-15 US disclosed
JP-S649971-A DIPHENYL THIOETHER COMPOUND OTSUKA PHARMA FACTORY INC 1989-01-13 JP disclosed