SCHEMBL7361776

SCHEMBL7361776

O=[N+]([O-])c1ccc(NCP(=O)(O)O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
POLB P06746 2/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GPR35 Q9HC97 1/20 0.47
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HCAR3 P49019 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
SCHEMBL7356928 0.85 MAPT (0.54) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL7350263 0.85 ALDH1A1 (0.52) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL7349273 0.84 KCNMA1 (0.50) MAPTPOLBPKMALDH1A1MAPK1
SCHEMBL7355699 0.84 KAT2B (0.58) MAPTPOLBPKMALDH1A1MAPK1
SCHEMBL7358011 0.84 MAPT (0.52) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL7361382 0.84 PKM (0.47) MAPTPKMKDM4EALDH1A1MAPK1
SCHEMBL7351297 0.84 ALDH1A1 (0.57) MAPTPOLBPKMALDH1A1MEN1
SCHEMBL7349701 0.83 MAPT (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL7380491 0.82 MAPT (0.57) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8107611 0.80 MAPT (0.60) MAPTPOLBPKMKDM4EALDH1A1

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 4 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
CN-1072929-A Para-dinitronaphthalene derivative, preparation method and medical application thereof SCHERING AG (DE) 1993-06-09 CN disclosed