SCHEMBL9046552

SCHEMBL9046552

CC(C)c1ccc(S(=O)(=O)Nc2ncnc(Cl)c2-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.57
EDNRB P24530 5/20 0.57
KDM1A O60341 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KIT P10721 3/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD11B1 P28845 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
ERAP1 Q9NZ08 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
SCHEMBL9045520 0.91 EDNRA (0.51) EDNRAEDNRBMEN1KMT2AKIT
SCHEMBL9045181 0.89 EDNRA (0.59) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9045067 0.89 EDNRA (0.70) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9045084 0.89 EDNRA (0.70) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9046378 0.88 EDNRA (0.57) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9046700 0.86 EDNRA (0.49) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9494268 0.86 EDNRA (0.56) EDNRAEDNRBKDM1AMEN1KMT2A
SCHEMBL9043808 0.85 EDNRB (0.47) EDNRAEDNRBMEN1KMT2AKIT
SCHEMBL9047883 0.83 EDNRA (0.45) EDNRAEDNRBMEN1KMT2AKIT
SCHEMBL9047430 0.83 EDNRA (0.47) EDNRAEDNRBKDM1AKIT

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-0510526-B1 Use of sulfonamides as drug and new sulfonamides HOFFMANN LA ROCHE (CH) 1996-12-04 EP disclosed
US-5270313-A Treatment of circulatory disorders HOFFMANN-LA ROCHE INC. (US) 1993-12-14 US disclosed
EP-0510526-A1 Use of sulfonamides as drug and new sulfonamides F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1992-10-28 EP disclosed