SCHEMBL17537313

SCHEMBL17537313

N=C/C=C/c1cccn1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ ALDH1A1 P00352 6/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.38
▸ MAPT P10636 7/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ POLB P06746 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ HTT P42858 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ NTSR1 P30989 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL1322135 0.87 KMT2A (0.56) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL1322136 0.87 KMT2A (0.56) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL30910850 0.83 KMT2A (0.57) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL30910853 0.83 KMT2A (0.57) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL30910852 0.83 KMT2A (0.57) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL25231383 0.81 KMT2A (0.44) KMT2AALDH1A1HCAR1MAPTKDM4E
SCHEMBL1321811 0.81 KMT2A (0.74) KMT2AALDH1A1HCAR1MAPTPOLB
Resomelagon SCHEMBL30064288 0.80 KMT2A (0.45) KMT2AALDH1A1MAPTMEN1L3MBTL1
Resomelagon SCHEMBL29214577 0.80 KMT2A (0.45) KMT2AALDH1A1MAPTMEN1L3MBTL1
Resomelagon SCHEMBL12123977 0.80 KMT2A (0.45) KMT2AALDH1A1MAPTMEN1L3MBTL1

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-2348016-B1 Phenyl pyrrole aminoguanidine derivatives SYNACT PHARMA APS (DK) 2016-02-17 — — EP disclosed
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