SCHEMBL8328679

SCHEMBL8328679

O=C(NO)c1cccnc1C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MPO P05164 1/20 0.48
HIF1A Q16665 1/20 0.48
P2RX7 Q99572 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 2/20 0.44
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL3279880 0.89 KDM4E (0.69) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL5902495 0.87 PARP1 (0.50) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL9130938 0.84 KDM4E (0.52) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL27780749 0.80 TLR7 (0.46) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL4915812 0.78 P2RX7 (0.66) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL6992077 0.78 SMN1; SMN2 (0.63) KDM4EALDH1A1MAPTL3MBTL1GAA
SCHEMBL20913126 0.78 CTSA (0.47) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL13266784 0.78 KDM4E (0.47) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL13244599 0.78 P2RX7 (0.71) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL7045677 0.78 HDAC1 (0.46) KDM4EALDH1A1ALOX15CYP3A4MAPT

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
US-6001329-A A TOXIN FUSED TO A TARGETING MOIETY WHICH BINDS TO A RECEPTOR OVEREXPRESSED BY TUMOR CELLS SUCH AS INTERLEUKINS, OR EPIDERMAL GROWTH FACTOR, WHEREIN SAID TOXIN-TARGETING FUSION MOIETY IS LABELED WITH A RADIONUCLIDE UAB RESEARCH FOUNDATION (US) 1999-12-14 US disclosed
WO-1997042217-A1 RADIOLABELED FUSION TOXINS FOR CANCER THERAPY THE UAB RESEARCH FOUNDATION (US) 1997-11-13 WO disclosed