SCHEMBL4701025

SCHEMBL4701025

N=C(NN=Cc1cc([N+](=O)[O-])ccc1F)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.59
KMT2A Q03164 11/20 0.59
MAPT P10636 9/20 0.59
KDM4E B2RXH2 5/20 0.59
CCR6 P51684 1/20 0.59
LMNA P02545 3/20 0.54
HTT P42858 3/20 0.48
ADORA2A P29274 1/20 0.47
NPC1 O15118 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.44
THRB P10828 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
SCHEMBL4701023 1.00 MEN1 (0.59) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4699404 0.85 KMT2A (0.57) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4699407 0.85 KMT2A (0.57) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL13673637 0.84 HTT (0.49) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL13673635 0.84 HTT (0.49) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4698001 0.83 HTT (0.48) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4698000 0.83 HTT (0.48) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL13673499 0.81 HTT (0.56) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL13673500 0.81 HTT (0.56) MEN1KMT2AMAPTKDM4ECCR6
SCHEMBL4698069 0.80 NPC1 (0.61) MEN1KMT2AMAPTLMNANPC1

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