SCHEMBL21168518

SCHEMBL21168518

Nc1nc2c(nc1N)c1nc(N)c([N+](=O)[O-])nc1c1nc([N+](=O)[O-])c(N)nc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL21168391 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13809545 1.00 ALDH1A1 (0.30) ALDH1A1
SCHEMBL14101041 0.95 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20553556 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1288337 0.82 ALDH1A1 (0.33) ALDH1A1
Water SCHEMBL28227714 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7701711 0.79 ALDH1A1 (0.35) ALDH1A1
SCHEMBL35451 0.79 KMT2A (0.34) ALDH1A1
SCHEMBL29776882 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL10813133 0.74 ALDH1A1 (0.34) ALDH1A1

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
EP-2752907-B1 ORGANIC LIGHT EMITTING DIODE LG DISPLAY CO LTD (KR) 2019-07-17 EP disclosed