SCHEMBL5203318

SCHEMBL5203318

N#CCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.50
CYP19A1 P11511 1/20 0.43
LMNA P02545 3/20 0.40
XDH P47989 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
KCNH2 Q12809 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SNCA P37840 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL5205713 0.89 S1PR4 (0.47) VCAM1CYP19A1GAAL3MBTL1GRM5
SCHEMBL5203582 0.89 MAPT (0.52) VCAM1LMNAXDHGAAL3MBTL1
SCHEMBL11256742 0.83 CHRNB2 (0.56) LMNAGRM5MEN1MAPTKMT2A
SCHEMBL2061312 0.81 KCNH2 (0.52) LMNAGAAL3MBTL1MAPTKCNH2
SCHEMBL6815113 0.77 ALDH1A1 (0.48) VCAM1CYP19A1LMNAXDHHTT
SCHEMBL13681535 0.77 MAPT (0.43) GAAL3MBTL1HTTGRM5MEN1
SCHEMBL19434603 0.75 ALDH1A1 (0.44) VCAM1LMNAL3MBTL1HTTMEN1
SCHEMBL13158993 0.75 CYP19A1 (0.48) VCAM1CYP19A1LMNAHTTMEN1
SCHEMBL11156576 0.75 CYP19A1 (0.48) VCAM1CYP19A1LMNAHTTMEN1
SCHEMBL11055090 0.75 MAPT (0.59) CYP19A1LMNAL3MBTL1HTTMEN1

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
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed