SCHEMBL9044301

SCHEMBL9044301

O=S(=O)(Nc1ncnc(Cl)c1-c1ccc(Cl)cc1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.54
EDNRB P24530 2/20 0.52
EDNRA P25101 2/20 0.52
PGR P06401 4/20 0.50
FBP1 P09467 1/20 0.47
MAOA P21397 3/20 0.46
CCR4 P51679 1/20 0.46
SLC40A1 Q9NP59 1/20 0.45
KIT P10721 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TEK Q02763 1/20 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
SCHEMBL9047048 0.88 EDNRB (0.52) KDM1AEDNRBEDNRAFBP1MAOA
SCHEMBL9492250 0.86 KDM1A (0.59) KDM1AEDNRBEDNRACCR4SLC40A1
SCHEMBL9044255 0.84 ALDH1A1 (0.56) KDM1AEDNRBEDNRAFBP1PTPN2
SCHEMBL9047067 0.84 EDNRB (0.59) KDM1AEDNRBEDNRAFBP1MAOA
SCHEMBL9046070 0.83 EDNRB (0.53) EDNRBEDNRAKITTSHR
SCHEMBL9046709 0.81 ALDH1A1 (0.60) KDM1AEDNRBEDNRAMAOAKIT
SCHEMBL9044114 0.81 EDNRA (0.47) EDNRBEDNRACCR4SLC40A1TSHR
SCHEMBL9495682 0.81 EDNRB (0.59) EDNRBEDNRAFBP1KITKDM4E
SCHEMBL9045764 0.81 EDNRB (0.59) EDNRBEDNRAFBP1KITKDM4E
SCHEMBL9043560 0.81 EDNRA (0.59) KDM1AEDNRBEDNRACCR4KDM4E

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