SCHEMBL4698000

SCHEMBL4698000

CNC(=N)N/N=C/c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.48
KDM4E B2RXH2 7/20 0.46
MAPT P10636 7/20 0.46
ALDH1A1 P00352 3/20 0.45
PHGDH O43175 2/20 0.45
POLB P06746 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
CCR6 P51684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.42
LMNA P02545 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
SCHEMBL4698001 1.00 HTT (0.48) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL13673637 0.89 HTT (0.49) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL13673635 0.89 HTT (0.49) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL915537 0.85 MAPT (0.47) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL13673500 0.85 HTT (0.56) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL13673499 0.85 HTT (0.56) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL4701661 0.84 KMT2A (0.54) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL4701658 0.84 KMT2A (0.54) HTTKDM4EMAPTALDH1A1PHGDH
SCHEMBL4701023 0.83 MEN1 (0.59) HTTKDM4EMAPTALDH1A1POLB
SCHEMBL4701025 0.83 MEN1 (0.59) HTTKDM4EMAPTALDH1A1POLB

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