SCHEMBL13673545

SCHEMBL13673545

N=C(NO)N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
MAPT P10636 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 5/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 5/20 0.44
GAA P10253 1/20 0.44
CCR6 P51684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PHGDH O43175 1/20 0.43
KDM4A O75164 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13673546 1.00 KMT2A (0.52) KMT2AMAPTALDH1A1HTTTDP1
Hydrochloric Acid SCHEMBL915076 0.99 KMT2A (0.51) KMT2AMAPTALDH1A1HTTTDP1
Hydrochloric Acid SCHEMBL915075 0.99 KMT2A (0.51) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL4701661 0.88 KMT2A (0.54) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL4701658 0.88 KMT2A (0.54) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL915572 0.87 ALDH1A1 (0.47) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL915573 0.87 ALDH1A1 (0.47) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL13674689 0.87 MAPT (0.47) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL13674690 0.87 MAPT (0.47) KMT2AMAPTALDH1A1HTTTDP1
SCHEMBL13673630 0.86 GUSB (0.47) KMT2AMAPTALDH1A1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 US disclosed
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 US disclosed