SCHEMBL6828040

SCHEMBL6828040

CNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSS P25774 1/20 0.56
MMP1 P03956 3/20 0.55
FCER2 P06734 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
MMP3 P08254 1/20 0.52
PTPN1 P18031 1/20 0.51
LMNA P02545 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL6828028 1.00 MEN1 (0.70) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL6803737 0.88 MEN1 (0.55) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL6803202 0.88 MEN1 (0.55) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL6803191 0.88 MEN1 (0.55) MEN1KMT2ACTSLMMP1FCER2
SCHEMBL6807421 0.84 NPC1 (0.62) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL6807425 0.84 NPC1 (0.62) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL6807036 0.84 ANPEP (0.60) MEN1KMT2AMMP1FCER2SMN1; SMN2
SCHEMBL6807041 0.84 ANPEP (0.60) MEN1KMT2AMMP1FCER2SMN1; SMN2
SCHEMBL18228991 0.83 MEN1 (0.60) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL28672517 0.83 MEN1 (0.60) MEN1KMT2ACTSLCTSBCTSS

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