SCHEMBL23028652

SCHEMBL23028652

N=C(N)NCC(=O)OCCc1ncno1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23028650 0.87 POLB (0.30) POLB
SCHEMBL23028563 0.79
SCHEMBL23028649 0.78 ST14 (0.35) KMT2A
SCHEMBL23028653 0.76
SCHEMBL23028565 0.76 TDP1 (0.37) ALDH1A1POLBTDP1
SCHEMBL28158274 0.76 MEN1 (0.36) ALDH1A1GAAPOLBTDP1MEN1
SCHEMBL23028566 0.75
SCHEMBL23028654 0.72 ST14 (0.35) POLB
SCHEMBL23028569 0.71 TDP1 (0.32) TDP1
SCHEMBL23028615 0.69 ALDH1A1 (0.48) ALDH1A1GAATDP1MEN1KMT2A

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
WO-2021034548-A1 MITOCHONDRIAL MODULATION TO IMPROVE METABOLIC SYNDROME DURING AGING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-02-25 WO disclosed