SCHEMBL17340686

SCHEMBL17340686

[N-]=[N+]=NCOC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 12/20 0.70
EGLN1 Q9GZT9 12/20 0.70
FAAH O00519 4/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL278429 0.83 VEGFA (1.00) VEGFAEGLN1FAAHDRD2DRD3
SCHEMBL1772403 0.83 VEGFA (1.00) VEGFAEGLN1FAAHDRD2DRD3
SCHEMBL12598822 0.81 VEGFA (0.84) VEGFAEGLN1
SCHEMBL21667235 0.80 VEGFA (0.79) VEGFAEGLN1DRD2DRD3KDM4E
SCHEMBL12598821 0.79 EGLN1 (1.00) VEGFAEGLN1
SCHEMBL15314767 0.73 VEGFA (0.68) VEGFAEGLN1KDM4ETP53CYP2D6
SCHEMBL12598820 0.73 EGLN1 (0.70) VEGFAEGLN1SMN1; SMN2
SCHEMBL273125 0.72 VEGFA (0.70) VEGFAEGLN1SMN1; SMN2
SCHEMBL30274428 0.70 EGLN1 (0.63) VEGFAEGLN1KDM4E
SCHEMBL277774 0.70 EGLN1 (0.63) VEGFAEGLN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2954899-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS Aerpio Therapeutics, Inc. (US) 2015-12-16 EP disclosed