SCHEMBL6670692

SCHEMBL6670692

Oc1cc(O)cc(C2=NCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BACE1 P56817 1/20 0.33
NQO1 P15559 1/20 0.33
ABL1 P00519 1/20 0.33
ABCB1 P08183 1/20 0.33
BCR P11274 1/20 0.33
LTA4H P09960 1/20 0.33
MMP13 P45452 1/20 0.32
LSS P48449 1/20 0.32

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
SCHEMBL7519297 0.96 KCNH2 (0.34) KCNH2HRH3LTA4HMMP13LSS
SCHEMBL3794785 0.84 KCNH2 (0.38) KCNH2HRH3LTA4HMMP13LSS
SCHEMBL4751753 0.81 CHRNB4 (0.47)
SCHEMBL186365 0.79 KCNH2 (0.43) KCNH2HRH3LTA4HLSS
SCHEMBL9700423 0.79 CA1 (0.46) KCNH2HRH3LTA4HMMP13
SCHEMBL9705736 0.79 TTR (0.46) KCNH2HRH3LSS
Hydrochloric Acid SCHEMBL9668585 0.78 KCNH2 (0.42) KCNH2HRH3LTA4HLSS
Hydrochloric Acid SCHEMBL9705714 0.77 TTR (0.45) KCNH2HRH3LTA4HLSS
Hydrochloric Acid SCHEMBL9705801 0.77 CRHBP (0.37) KCNH2HRH3LTA4H
SCHEMBL12375094 0.75 KCNH2 (0.34) KCNH2HRH3LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4076022-A None JP disclosed
EP-0976768-B1 Oxazoline groups containing hyperbranched polymers, process for their preparation and their use INST POLYMERFORSCHUNG DRESDEN (DE) 2004-09-22 EP disclosed
EP-0976768-A2 Oxaziline groups containing hyperbranched polymers, process for their preparation and their use Institut für Polymerforschung Dresden e.V. (DE) 2000-02-02 EP disclosed
JP-H0476022-A NEW AROMATIC POLYETHER AND ITS PRODUCTION TEIJIN LTD 1992-03-10 JP disclosed