SCHEMBL9495682

SCHEMBL9495682

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.59
EDNRA P25101 2/20 0.59
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
KIT P10721 1/20 0.46
OXTR P30559 1/20 0.45
POLB P06746 1/20 0.45
PIK3CD O00329 1/20 0.45
FBP1 P09467 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9045764 1.00 EDNRB (0.59) EDNRBEDNRAKDM4ERXFP1MEN1
SCHEMBL9045149 0.90 NPSR1 (0.51) EDNRBEDNRAKDM4ERXFP1MEN1
SCHEMBL9043560 0.87 EDNRA (0.59) EDNRBEDNRAKDM4ERXFP1MEN1
SCHEMBL9047067 0.87 EDNRB (0.59) EDNRBEDNRAKDM4ERXFP1MEN1
SCHEMBL9046709 0.87 ALDH1A1 (0.60) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL9045084 0.86 EDNRA (0.70) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL9046070 0.86 EDNRB (0.53) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL9045067 0.86 EDNRA (0.70) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL9046378 0.85 EDNRA (0.57) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL9046792 0.84 KDM1A (0.56) EDNRBEDNRAMEN1KMT2AALDH1A1

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
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