SCHEMBL4699404

SCHEMBL4699404

N=C(N/N=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.57
MEN1 O00255 12/20 0.57
MAPT P10636 9/20 0.57
KDM4E B2RXH2 2/20 0.57
CCR6 P51684 1/20 0.57
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 3/20 0.47
HTT P42858 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.45
ADORA2A P29274 1/20 0.45
POLB P06746 1/20 0.45
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4699407 1.00 KMT2A (0.57) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL4701025 0.85 MEN1 (0.59) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL4701023 0.85 MEN1 (0.59) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL13673545 0.84 KMT2A (0.52) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL13673546 0.84 KMT2A (0.52) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL4701658 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ECCR6
Hydrochloric Acid SCHEMBL915076 0.83 KMT2A (0.51) KMT2AMEN1MAPTKDM4ECCR6
Hydrochloric Acid SCHEMBL915075 0.83 KMT2A (0.51) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL4701661 0.83 KMT2A (0.54) KMT2AMEN1MAPTKDM4ECCR6
SCHEMBL4698069 0.81 NPC1 (0.61) KMT2AMEN1MAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed