SCHEMBL8039779

SCHEMBL8039779

O=CCC1Cc2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL14421919 0.83 PNMT (0.42) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL8039748 0.81 PNMT (0.40) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL12227742 0.78 ALDH1A1 (0.42) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL8426347 0.77 PNMT (0.38) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL13862128 0.77 GLS (0.39) PNMTADRA2AADRA2BADRA2C
SCHEMBL28876770 0.75 PNMT (0.43) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL28284898 0.75 PNMT (0.43) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL16190023 0.75 TDP1 (0.53) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL10256487 0.73 HRH3 (0.59)
SCHEMBL28016153 0.72 PNMT (0.42) PNMTADRA2AADRA2BADRA2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed