SCHEMBL7355209

SCHEMBL7355209

Nc1cc([N+](=O)[O-])ccc1NCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
GFER P55789 2/20 0.54
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
GAA P10253 4/20 0.51
KDM4E B2RXH2 2/20 0.51
ATM Q13315 1/20 0.51
PKM P14618 1/20 0.50
THRB P10828 1/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 1/20 0.47
TRPA1 O75762 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDK2 P24941 1/20 0.47

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
SCHEMBL7349997 0.84 MAPT (0.62) MAPTKMT2AALDH1A1GAAKDM4E
SCHEMBL108393 0.84 KMT2A (0.65) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL29390080 0.84 KMT2A (0.65) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL14502631 0.83 KMT2A (0.77) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL2468178 0.82 MAPT (0.55) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL6232719 0.81 ALDH1A1 (0.65) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL14063302 0.81 MAPT (0.54) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL2234808 0.80 KAT2B (0.63) MAPTKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL27325893 0.79 MAPT (0.61) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL7357353 0.79 MAPT (0.50) MAPTKMT2AMEN1GFERALDH1A1

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-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
WO-1993008173-A1 QUINOXALINE DERIVATES WITH AFFINITY FOR QUISQUALATE-RECEPTORS SCHERING AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed