SCHEMBL9762548

SCHEMBL9762548

COCCC(O)n1ccnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRK1 P41145 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
TYMP P19971 3/20 0.33
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MITF O75030 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL6275195 0.83 LMNA (0.41) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL15570179 0.80 CA1 (0.42) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL10400098 0.80 KMT2A (0.45) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL28818918 0.76 KMT2A (0.48) KMT2ALMNATHRBCYP2C19CA12
Misonidazole SCHEMBL51943 0.75 KMT2A (0.66) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL2360743 0.72 KMT2A (0.43) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL296106 0.71 LMNA (0.48) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL27795012 0.71 KMT2A (0.44) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL9060085 0.69 KMT2A (0.43) KMT2ALMNATHRBCYP2C19CA12
SCHEMBL6275185 0.69 KMT2A (0.55) KMT2ALMNATHRBCYP2C19CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921963-A Platinum complexes with one radiosensitizing ligand BRITISH COLUMBIA CANCER FOUNDATION (CA) 1990-05-01 US claimed
US-7608612-B2 Radiosensitizer formulations and methods for use Matthews, Richard H. (US) 2009-10-27 US disclosed
US-5026694-A Antitumor agents THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1991-06-25 US disclosed
US-4921963-A Platinum complexes with one radiosensitizing ligand BRITISH COLUMBIA CANCER FOUNDATION (CA) 1990-05-01 US disclosed
EP-0287317-A2 Platinum complexes with one radiosensitizing ligand THE BRITISH COLUMBIA CANCER FOUNDATION (CA) 1988-10-19 EP disclosed