SCHEMBL5306997

SCHEMBL5306997

O=[N+]([O-])c1ccc(O)c(N=Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.56
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
FTO Q9C0B1 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL11303620 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL11303617 1.00 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1276292 0.90 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1276291 0.90 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL8556068 0.87 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL31307193 0.87 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL10898315 0.87 MEN1 (0.57) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL9234152 0.82 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL5186237 0.81 HSD17B10 (0.51) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL28543332 0.81 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AMAPTHTT

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-2007028080-A1 COLORIMETRIC DETECTION OF CYANIDE WITH A CHROMOGENIC OXAZINE THE UNIVERSITY OF MIAMI (US) 2007-03-08 WO disclosed