SCHEMBL5259031

SCHEMBL5259031

C=CCc1cccc([N+](=O)[O-])c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.42
CD69 Q07108 2/20 0.40
HTT P42858 2/20 0.40
PLA2G2A P14555 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
AURKA O14965 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HCAR3 P49019 1/20 0.37

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
SCHEMBL5259025 1.00 PTGDR (0.44) PTGDRPTGDR2KDM4EKMT2AALDH1A1
SCHEMBL2061886 0.83 RAB9A (0.41) KDM4EKMT2AALDH1A1HTTNPC1
SCHEMBL11211677 0.82 ALDH1A1 (0.42) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL430053 0.81 KDM4E (0.40) KDM4E
SCHEMBL430052 0.81 KDM4E (0.40) KDM4E
SCHEMBL7857063 0.79 PTGDR2 (0.56) PTGDRPTGDR2KDM4EKMT2AALDH1A1
SCHEMBL6742518 0.78 PTGDR2 (0.48) PTGDRPTGDR2KDM4EKMT2AALDH1A1
Bicarbonate SCHEMBL28219371 0.77 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL14374948 0.77 POLB (0.37) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL5261603 0.77 KMT2A (0.41) PTGDRPTGDR2KDM4EKMT2AALDH1A1

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-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed