SCHEMBL7380491

SCHEMBL7380491

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 3/20 0.56
POLB P06746 2/20 0.54
PKM P14618 2/20 0.54
PRSS1 P07477 4/20 0.51
HCAR3 P49019 3/20 0.49
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KAT2B Q92831 2/20 0.47
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CDK2 P24941 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 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
SCHEMBL7349701 0.96 MAPT (0.58) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL7356928 0.91 MAPT (0.54) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL7389078 0.86 KMT2A (0.47) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL8147273 0.84 MAPT (0.65) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL14364287 0.82 MAPT (0.60) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL6233037 0.82 ALDH1A1 (0.67) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL7361776 0.82 MAPT (0.50) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL7359455 0.82 MAPT (0.48) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL8107611 0.81 MAPT (0.60) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL29306545 0.81 HCAR3 (0.67) MAPTKDM4EALDH1A1POLBPKM

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