SCHEMBL4701029

SCHEMBL4701029

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
CCR6 P51684 1/20 0.48
ADORA2A P29274 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.42
PHGDH O43175 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
SCHEMBL4699409 0.85 KMT2A (0.51) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL13673639 0.84 HTT (0.55) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL4698002 0.83 HTT (0.54) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL13673500 0.81 HTT (0.56) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL13673499 0.81 HTT (0.56) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL4698071 0.80 NPC1 (0.61) MEN1KMT2AMAPTALDH1A1NPC1
Acetic Acid SCHEMBL915534 0.78 HTT (0.51) HTTMEN1KMT2AMAPTKDM4E
Acetic Acid SCHEMBL915535 0.78 HTT (0.51) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL4701025 0.77 MEN1 (0.59) HTTMEN1KMT2AMAPTKDM4E
SCHEMBL4701023 0.77 MEN1 (0.59) HTTMEN1KMT2AMAPTKDM4E

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