SCHEMBL7303018

SCHEMBL7303018

COc1cccc(Oc2c(Cl)nc(C)nc2NS(=O)(=O)c2ccc(C(C)C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
GPR119 Q8TDV5 1/20 0.45
MAPT P10636 1/20 0.44
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43

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
SCHEMBL7583505 0.92 PGR (0.52) PGRMAPTEDNRBEDNRA
SCHEMBL7582149 0.87 EDNRB (0.57) EDNRBEDNRA
SCHEMBL7294848 0.84 EDNRA (0.61) EDNRBEDNRA
SCHEMBL7991567 0.76 EDNRA (0.62) EDNRBEDNRA
SCHEMBL8395710 0.75 EDNRB (0.45) PGRGPR119EDNRBEDNRA
SCHEMBL7298473 0.75 DHPS (0.47) MAPT
SCHEMBL7296697 0.74 EDNRA (0.56) EDNRBEDNRA
SCHEMBL7596382 0.74 EDNRA (0.65) EDNRBEDNRA
SCHEMBL7293947 0.74 EDNRA (0.56) EDNRBEDNRA
SCHEMBL9423875 0.74 EDNRA (0.46) MAPTEDNRBEDNRA

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
US-5292740-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed