SCHEMBL9501972

SCHEMBL9501972

CCc1ccc2cccc([N+](=O)[O-])c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.54
PARP1 P09874 1/20 0.51
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
THRB P10828 2/20 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
SCHEMBL28887389 0.84 PDE10A (0.54) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28596104 0.84 PDE10A (0.54) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28265684 0.84 PDE10A (0.54) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL28594352 0.80 PDE10A (0.47) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL13959105 0.80 PDE10A (0.50) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL230859 0.78 RELA (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL30033520 0.75 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL1031078 0.75 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL22119735 0.75 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL27930198 0.75 PDE10A (0.59) PDE10AMEN1KMT2ASMN1; SMN2HPGD

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
EP-0260939-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT CATALYTIC PROPERTIES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-04-28 EP disclosed
US-5030717-A Binding site which bind to reactant ligand, stabilization SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-07-09 US disclosed
EP-0260939-A2 Molecules with antibody combining sites that exhibit catalytic properties SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-03-23 EP disclosed