SCHEMBL6991407

SCHEMBL6991407

CC(C)[Mg]Cl.CC(C)c1c([N+](=O)[O-])ccc2c1c1ccccc1n2C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPY5R Q15761 4/20 0.44
UTS2R Q9UKP6 1/20 0.34
MAPT P10636 4/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
XBP1 P17861 1/20 0.32
PAX8 Q06710 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TLR9 Q9NR96 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.32
CTSB P07858 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31

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
SCHEMBL6826569 0.93 KMT2A (0.56) KMT2AMEN1NPY5RUTS2RMAPT
SCHEMBL27604176 0.79 KMT2A (0.57) KMT2AMEN1NPY5RUTS2RMAPT
SCHEMBL6826899 0.70 NPY5R (0.48) KMT2AMEN1NPY5RUTS2RMAPT
SCHEMBL6826587 0.67 KMT2A (0.48) KMT2AMEN1NPY5RMAPTNPC1
SCHEMBL1149958 0.66 MEN1 (1.00) KMT2AMEN1NPY5RMAPTLMNA
SCHEMBL7974800 0.66 MEN1 (0.64) KMT2AMEN1NPY5RMAPTNPC1
SCHEMBL18622105 0.65 ALDH1A1 (0.55) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL6827505 0.65 KMT2A (0.41) KMT2AMEN1NPY5RMAPTNPC1
SCHEMBL6827501 0.64 MEN1 (0.54) KMT2AMEN1NPY5RMAPTNPC1
SCHEMBL27604175 0.64 MEN1 (0.44) KMT2AMEN1NPY5RMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 WO disclosed