SCHEMBL7850722

SCHEMBL7850722

COc1ccc(Cl)c(Oc2c(N)nc(N3CCOCC3)nc2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.46
MAPT P10636 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PIK3CD O00329 5/20 0.41
PIK3CA P42336 5/20 0.41
PIK3CB P42338 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7850718 0.87 EDNRA (0.47) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7850538 0.86 MAPT (0.48) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7853910 0.83 EDNRA (0.50) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7849633 0.83 MAPT (0.47) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7849615 0.78 EDNRA (0.51) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7008931 0.78 EDNRA (0.74) EDNRAMAPTKDM4EMAPK1ALDH1A1
SCHEMBL7011083 0.78 MAPT (0.50) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7850537 0.77 EDNRA (0.49) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7009897 0.76 EDNRA (0.43) EDNRAMAPTL3MBTL1PIK3CDPIK3CA
SCHEMBL7009407 0.76 MAPT (0.48) EDNRAMAPTL3MBTL1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP claimed
EP-0713875-A1 Sulfonamides F. Hoffmann-La Roche AG (CH) 1996-05-29 EP claimed
WO-2001049289-A1 PHARMACEUTICAL AND VETERINARY USES OF ENDOTHELIN ANTAGONISTS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-07-12 WO disclosed