SCHEMBL7729231

SCHEMBL7729231

N#COOOC#N.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
CCR6 P51684 1/20 0.52

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
SCHEMBL27796563 0.85 GSK3A (0.38) GSK3AGSK3BCCR6
SCHEMBL28256443 0.76 GSK3A (0.69) GSK3AGSK3BCCR6
Water SCHEMBL7139391 0.76 GSK3A (0.92) GSK3AGSK3BCCR6
Water SCHEMBL28311886 0.76
Cyanamide SCHEMBL1817412 0.74 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanamide SCHEMBL8405602 0.74 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanate SCHEMBL2195022 0.74 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanate SCHEMBL7896406 0.74 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanate SCHEMBL8404267 0.74 GSK3A (0.65) GSK3AGSK3BCCR6
Cyanate SCHEMBL27867363 0.74 GSK3A (0.65) GSK3AGSK3BCCR6

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
US-6337375-B1 RESIN WITH COLOR AND FLUORESCING AGENT INTERNATIONAL BUSINESS MACHINES CORPORATION 2002-01-08 US disclosed
US-6190759-B1 ELECTRONIC PACKAGE COMPRISING DIELECTRIC LAYER AND CONDUCTIVE LAYER, SAID DIELECTRIC LAYER INCLUDING REINFORCING MATERIAL, RESIN MATERIAL SELECTED FROM EPOXY, CYANATE AND BISMALEIMIDE RESINS, COLORING AGENT, AND FLUORESCING AGENT INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-02-20 US disclosed
US-6187417-B1 Substrate having high optical contrast and method of making same INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-02-13 US disclosed