SCHEMBL3978819

SCHEMBL3978819

O=C1CNCCN1c1cccc([N+](=O)[O-])c1.O=C1CNCCN1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SCN2A Q99250 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2634714 1.00 HPN (0.49) HPNMEN1MAPTKMT2AHTR1A
SCHEMBL4259265 0.87 ALDH1A1 (0.44) HPNMEN1MAPTKMT2AHTR1A
SCHEMBL3975843 0.82 SIRT6 (0.59) MAPTHTR1AHTR7ALDH1A1SCN2A
SCHEMBL3977939 0.82 ALDH1A1 (0.47) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL10745684 0.81 HPN (0.53) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL11819105 0.81 HPN (0.55) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL3223479 0.78 KMT2A (0.61) HPNMEN1MAPTKMT2AALDH1A1
SCHEMBL27906471 0.78 HTR1A (0.60) HPNMEN1MAPTKMT2AHTR1A
SCHEMBL1583660 0.78 POLB (0.49) MEN1MAPTKMT2AHTR1AHTR7
SCHEMBL519878 0.78 HTR1A (0.72) HPNMEN1MAPTKMT2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907385-A4 COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
EP-1907385-A2 COMPOUNDS SmithKline Beecham Corporation (US) 2008-04-09 EP disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed