SCHEMBL4698002

SCHEMBL4698002

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
KDM4E B2RXH2 7/20 0.48
MAPT P10636 8/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PHGDH O43175 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR6 P51684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP3 Q9NSD7 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL13673639 0.89 HTT (0.55) HTTKDM4EMAPTTDP1MEN1
SCHEMBL13673499 0.85 HTT (0.56) HTTKDM4EMAPTTDP1MEN1
SCHEMBL13673500 0.85 HTT (0.56) HTTKDM4EMAPTTDP1MEN1
SCHEMBL4701663 0.84 MAPT (0.54) HTTKDM4EMAPTTDP1MEN1
SCHEMBL4701029 0.83 HTT (0.50) HTTKDM4EMAPTTDP1MEN1
Acetic Acid SCHEMBL915535 0.82 HTT (0.51) HTTKDM4EMAPTTDP1MEN1
Acetic Acid SCHEMBL915534 0.82 HTT (0.51) HTTKDM4EMAPTTDP1MEN1
SCHEMBL4698000 0.80 HTT (0.48) HTTKDM4EMAPTTDP1MEN1
SCHEMBL4698001 0.80 HTT (0.48) HTTKDM4EMAPTTDP1MEN1
SCHEMBL21887154 0.80 ALDH1A1 (0.47) HTTKDM4EMAPTTDP1MEN1

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