SCHEMBL3476440

SCHEMBL3476440

O=[N+]([O-])c1ccc(O)c(-c2ccccc2O)c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
CASP6 P55212 2/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
GPR35 Q9HC97 4/20 0.56
CSNK2A2 P19784 2/20 0.55
CSNK2B P67870 2/20 0.55
CSNK2A1 P68400 2/20 0.55
CSNK2A3 Q8NEV1 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.50
CTSB P07858 2/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 2/20 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
SCHEMBL28661972 0.81 GPR35 (0.53) MAPTCASP6POLBAPEX1GPR35
SCHEMBL2281445 0.81 GPR35 (0.58) MAPTCASP6POLBAPEX1GPR35
SCHEMBL27993054 0.80 CASP6 (0.51) MAPTCASP6POLBAPEX1GPR35
SCHEMBL27913261 0.79 GPR35 (0.70) MAPTCASP6POLBAPEX1GPR35
SCHEMBL27340096 0.79 GPR35 (0.70) MAPTCASP6POLBAPEX1GPR35
SCHEMBL1392771 0.76 GPR35 (0.46) MAPTCASP6POLBAPEX1GPR35
SCHEMBL11429514 0.75 PTPRC (0.49) MAPTCASP6POLBAPEX1GPR35
SCHEMBL2300618 0.75 MAPT (1.00) MAPTCASP6POLBAPEX1CSNK2A2
SCHEMBL5707256 0.74 ALDH1A1 (0.59) MAPTCASP6POLBAPEX1GPR35
SCHEMBL8944624 0.74 MAPT (0.53) MAPTCASP6POLBAPEX1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742337-B2 Ion source with surface coating MICROMASS UK LIMITED (GB) 2014-06-03 US disclosed
US-20130299691-A1 Ion Source With Surface Coating MICROMASS UK LIMITED (GB) 2013-11-14 US disclosed
US-8476587-B2 Ion source with surface coating MICROMASS UK LIMITED (GB) 2013-07-02 US disclosed
US-20120286152-A1 ION SOURCE WITH SURFACE COATING MICROMASS UK LIMITED (GB) 2012-11-15 US disclosed
WO-2010131006-A1 ION SOURCE MICROMASS UK LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131004-A1 SURFACE COATING ON ION SOURCE MICROMASS UK LIMITED (GB) 2010-11-18 WO disclosed
WO-2010131008-A1 SURFACE COATING ON ION SOURCE MICROMASS UK LIMITED (GB) 2010-11-18 WO disclosed
WO-2010130999-A1 SURFACE COATING ON ION SOURCE MICROMASS UK LIMITED (GB) 2010-11-18 WO disclosed