SCHEMBL1386166

SCHEMBL1386166

O=[N+]([O-])c1cccc(-c2c[nH]nc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
PELI1 Q96FA3 2/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP2 O95551 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
SCHEMBL1386169 1.00 IDO1 (0.50) IDO1PELI1LMNASMN1; SMN2MAPT
Dimethylamine SCHEMBL2575644 0.95 IDO1 (0.46) IDO1PELI1LMNASMN1; SMN2MAPT
SCHEMBL1385051 0.81 GYS1 (0.47) LMNAMAPTALDH1A1TSHRMEN1
Dimethylamine SCHEMBL2579562 0.77 DYRK1A (0.44) LMNASMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL1845616 0.75 ALOX5 (0.51) IDO1LMNAMAPTRAB9ANPC1
SCHEMBL1385330 0.74 CYP19A1 (0.49) IDO1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL1847791 0.73 IDO1 (0.50) IDO1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4213892 0.73 IDO1 (0.50) IDO1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL6852842 0.73 IDO1 (0.50) IDO1LMNASMN1; SMN2MAPTALDH1A1
SCHEMBL25347360 0.73 TDP1 (0.59) IDO1LMNASMN1; SMN2MAPTALDH1A1

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
JP-4833078-B2 2011-12-07 JP claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed