SCHEMBL6648115

SCHEMBL6648115

O=C(OCc1c(Cl)cccc1Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.57
PTPN12 Q05209 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.57
HTR2A P28223 1/20 0.55
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 1/20 0.42
MGLL Q99685 1/20 0.41
FAAH O00519 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6646865 0.85 HTR2A (0.54) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL6652016 0.84 HTR2A (0.55) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL7463242 0.84 HTR2A (0.58) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL1197368 0.81 HTR2A (0.50) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL1976715 0.81 HTR2A (0.58) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL5827968 0.80 HTR2A (0.80) HTR2AMAPK1BCL9CTNNB1GAA
SCHEMBL9144432 0.80 HTR2A (0.70) PTPN7PTPN12PTPN22HTR2AMAPT
SCHEMBL29586964 0.79 HTR2A (0.62) PTPN7PTPN12PTPN22HTR2AMAPK1
SCHEMBL1714950 0.79 HTR2A (0.70) HTR2AMAPTTDP1BCL9CTNNB1
SCHEMBL15416492 0.78 HTR2A (0.62) PTPN7PTPN12PTPN22HTR2AMAPT

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-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed