SCHEMBL5716636

SCHEMBL5716636

Cc1cc(CCOS(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.41
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
TXNRD1 Q16881 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 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
SCHEMBL16054193 0.88 CYP3A4 (0.42) MAPTTSHRSMN1; SMN2PKMALDH1A1
SCHEMBL551849 0.85 MAPT (0.44) MAPTTSHRNR3C1PGRAR
SCHEMBL6271861 0.83 MAPT (0.43) MAPTL3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL23093075 0.82 MAPT (0.46) MAPTTSHRNR3C1PGRAR
SCHEMBL16654693 0.82 ALDH1A1 (0.47) MAPTTSHRSMN1; SMN2PKMHPGD
SCHEMBL874787 0.77 TSHR (0.51) TSHR
SCHEMBL12257134 0.77 MAPT (0.47) MAPTTSHRNR3C1PGRAR
SCHEMBL21412681 0.77 MAPT (0.50) MAPTTSHRNR3C1PGRAR
SCHEMBL20187505 0.76 GPR84 (0.40) TSHRNPC1RAB9APKMKDM4E
SCHEMBL1027225 0.75 TSHR (0.51) MAPTTSHRALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed