SCHEMBL5262471

SCHEMBL5262471

C=CCc1cccc2c1OCC(=C(C(=O)O)[N+](=O)[O-])N2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALOX12 P18054 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL5262461 1.00 KDM4E (0.32) KDM4EMAPTMEN1LMNAHTT
SCHEMBL5262467 1.00 KDM4E (0.32) KDM4EMAPTMEN1LMNAHTT
SCHEMBL10212058 0.86 KDM4E (0.36) KDM4EMAPTMEN1LMNAHTT
SCHEMBL5312857 0.81 GABRA1 (0.31) KDM4EMAPTMEN1LMNAHTT
SCHEMBL426861 0.74 SMYD3 (0.43) GABRA1GABRB2
SCHEMBL429081 0.72 GABRA1 (0.36) KDM4EMAPTMEN1LMNAHTT
SCHEMBL429057 0.71 GABRA1 (0.36) KDM4EMAPTMEN1LMNAHTT
SCHEMBL429058 0.71 GABRA1 (0.36) KDM4EMAPTMEN1LMNAHTT
SCHEMBL10212061 0.68 KDM4E (0.37) KDM4EMAPTMEN1LMNAHTT
SCHEMBL7453500 0.66 MAPT (0.35) KDM4EMAPTMEN1KMT2AALDH1A1

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