SCHEMBL7445633

SCHEMBL7445633

COc1ccccc1Oc1c(Cl)nc(-c2cc[nH]c(=O)c2)nc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 16/20 0.45
EDNRB P24530 5/20 0.44
PIK3CD O00329 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHPS P49366 1/20 0.40

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
SCHEMBL7441080 0.89 EDNRA (0.45) EDNRAEDNRBALDH1A1TSHRDHPS
SCHEMBL7850046 0.84 EDNRA (0.59) EDNRAEDNRBDHPS
SCHEMBL6972565 0.83 EDNRA (0.47) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL7889730 0.83 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7892848 0.81 EDNRA (0.63) EDNRAEDNRB
SCHEMBL7305825 0.78 EDNRA (0.61) EDNRAEDNRBDHPS
SCHEMBL1259727 0.75 EDNRA (0.69) EDNRAEDNRB
SCHEMBL5499789 0.75 EDNRA (0.63) EDNRAEDNRBDHPS
SCHEMBL7446457 0.74 EDNRA (0.65) EDNRAEDNRBDHPS
SCHEMBL6957003 0.74 EDNRA (0.47) EDNRAEDNRBDHPS

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-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO disclosed