SCHEMBL7782053

SCHEMBL7782053

O=[N+]([O-])c1cccc(C(CO)NCCOc2ccc3c(c2)[nH]c2ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP19A1 P11511 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL7778756 0.84 CTSV (0.38) CTSVCTSLALDH1A1HTT
SCHEMBL6915507 0.83 ADRB3 (0.47) CTSVCTSLDRD2DRD4DRD3
SCHEMBL7778742 0.80 CTSV (0.42) CTSVCTSLHTTCYP19A1DRD2
SCHEMBL7781279 0.79 KIF11 (0.39) CTSVCTSLMEN1KMT2AHTT
SCHEMBL7781344 0.76 ADRB2 (0.40) CTSVCTSLHTTCYP19A1
SCHEMBL7778926 0.75 KIF11 (0.41) CTSVCTSLMEN1KMT2AHTT
SCHEMBL6742903 0.74 CTSV (0.46) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL6742092 0.74 CTSV (0.46) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL7779190 0.73 CTSV (0.45) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL9662534 0.72 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AHTTLMNA

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-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed