SCHEMBL29951602

SCHEMBL29951602

O=Cc1cncc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.56
XDH P47989 1/20 0.43

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
SCHEMBL25631216 1.00 ERN1 (0.56) ERN1XDH
SCHEMBL5656200 0.82 GPR35 (0.56) ERN1
SCHEMBL13322809 0.74 XDH (0.43) ERN1XDH
SCHEMBL8159027 0.73 GPR35 (0.52) ERN1
SCHEMBL30774912 0.73 GPR35 (0.42) ERN1
SCHEMBL690072 0.73 GPR35 (0.42) ERN1
SCHEMBL4359807 0.73 GPR35 (0.52) ERN1
SCHEMBL12766877 0.73 ERN1 (1.00) ERN1
SCHEMBL319184 0.72 ALDH1A1 (0.46) ERN1
SCHEMBL31145561 0.72 ERN1 (1.00) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed