SCHEMBL7355304

SCHEMBL7355304

CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])P(=O)(O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
MAPT P10636 9/20 0.52
MAPK1 P28482 7/20 0.52
TDP1 Q9NUW8 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 3/20 0.52
HCAR3 P49019 3/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
MMP2 P08253 2/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7353219 0.86 KCNMA1 (0.49) MAPTMAPK1ALDH1A1SMN1; SMN2HCAR3
SCHEMBL7356741 0.84 MAPT (0.50) CRHBPCRHR2MAPTTDP1ALDH1A1
SCHEMBL7352966 0.84 HCAR3 (0.47) CRHBPCRHR2MAPTMAPK1ALDH1A1
SCHEMBL7349466 0.84 L3MBTL1 (0.49) MAPTTDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7348011 0.84 KCNMA1 (0.48) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL6156984 0.82 CRHBP (0.65) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL10089736 0.82 CRHBP (0.68) CRHBPCRHR2MAPTMAPK1TDP1
SCHEMBL7350226 0.81 MAPT (0.65) MAPTMAPK1ALDH1A1HTTMEN1
SCHEMBL27325892 0.81 HCAR3 (0.44) CRHBPCRHR2MAPTMAPK1ALDH1A1
SCHEMBL6132129 0.78 ALDH1A1 (0.69) CRHBPCRHR2MAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
CN-1038840-C para-dinitrogen naphthalene derivative, its preparation method and its medical use SCHERING AG (DE) 1998-06-24 CN disclosed
EP-0565683-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-10-20 EP disclosed
CN-1072929-A Para-dinitronaphthalene derivative, preparation method and medical application thereof SCHERING AG (DE) 1993-06-09 CN disclosed
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed