SCHEMBL7332901

SCHEMBL7332901

[NH]c1c(OCCNCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
POLB P06746 1/20 0.72
KCNH2 Q12809 1/20 0.72
HTR1A P08908 2/20 0.55
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
DRD4 P21917 9/20 0.52
DRD2 P14416 8/20 0.52
DRD3 P35462 8/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
HTR6 P50406 4/20 0.48

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
SCHEMBL7332908 0.85 KDM4E (0.73) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7336879 0.84 KDM4E (0.71) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7336472 0.81 KDM4E (0.79) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL11701339 0.76 DRD4 (0.77) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL8216991 0.76 KDM4E (0.59) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334661 0.75 KDM4E (0.58) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7342750 0.75 KDM4E (0.58) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7336105 0.74 KDM4E (0.60) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334310 0.72 KDM4E (0.61) KDM4EPOLBKCNH2HTR1AADRA1D
SCHEMBL7334407 0.72 KDM4E (0.55) KDM4EPOLBKCNH2HTR1AADRA1D

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
US-5922715-A 5-aminoalkoxy-1, 4-dihydroquinoxaline-2, 3-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-13 US disclosed