SCHEMBL8039683

SCHEMBL8039683

O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cccc3c2Nc2ccccc2S3)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.51
HSPB1 P04792 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NOX1 Q9Y5S8 4/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP1A2 P05177 1/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL8725829 0.80 SNCA (0.65) SNCAMEN1KMT2APOLBLMNA
SCHEMBL32057233 0.77 SNCA (0.55) SNCAMEN1KMT2APOLBLMNA
SCHEMBL3953679 0.77 SNCA (0.55) SNCAMEN1KMT2APOLBLMNA
SCHEMBL10902633 0.76 HSPB1 (0.54) HSPB1MEN1KMT2APOLBLMNA
SCHEMBL27614754 0.76 NOX1 (0.57) SNCAMEN1KMT2APOLBLMNA
Trinitrophenol SCHEMBL8039679 0.75 SNCA (0.65) SNCAMEN1KMT2APOLBNPC1
SCHEMBL28139768 0.72 NOX1 (0.52) SNCAMEN1KMT2APOLBLMNA
SCHEMBL29182651 0.71 NOX1 (0.50) SNCAMEN1KMT2APOLBLMNA
SCHEMBL28405071 0.71 SNCA (0.59) SNCAMEN1KMT2APOLBNPC1
SCHEMBL10646393 0.71 SNCA (0.51) SNCAMEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000077108-A1 ANAEROBIC ADHESIVE COMPOSITION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-12-21 WO claimed
WO-2000077108-A1 ANAEROBIC ADHESIVE COMPOSITION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2000-12-21 WO disclosed
US-4096201-A BUTADIENE-ACRYLONITRILE COPOLYMER, HYDROXYALKYL METHACRYLATE, ALKYL METHACRYLATE, ORGANIC HYDROPEROXIDE DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JA) 1978-06-20 US disclosed