SCHEMBL7127286

SCHEMBL7127286

CCCCOC(=O)N(CCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
ALOX12 P18054 1/20 0.45
KCNH2 Q12809 6/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
CNR2 P34972 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6802678 0.82 BMP1 (0.46) BMP1KMT2AMEN1LMNAMAPT
SCHEMBL6806990 0.79 PKM (0.52) BMP1KMT2AMEN1LMNAMAPT
SCHEMBL16682347 0.77 KCNH2 (0.56) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL6804511 0.76 ALDH1A1 (0.56) BMP1KMT2AMEN1LMNAMAPT
SCHEMBL6130637 0.74 CNR2 (0.45) MAPTALDH1A1MAPK1CNR2
SCHEMBL6801648 0.73 MMP1 (0.61) BMP1KMT2AMEN1KCNH2ALDH1A1
SCHEMBL6130644 0.71 ALDH1A1 (0.49) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6130650 0.71 CNR2 (0.43) KMT2AMEN1MAPTALDH1A1CNR2
SCHEMBL4973561 0.71 KCNH2 (0.48) KMT2AMEN1LMNAMAPTALOX12
SCHEMBL6130649 0.71 CNR2 (0.42) KMT2AMEN1MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed