SCHEMBL9044679

SCHEMBL9044679

O=S(=O)(Nc1ncnc(Cl)c1-c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.64
EDNRB P24530 2/20 0.55
EDNRA P25101 2/20 0.55
BCL2L1 Q07817 5/20 0.51
MCL1 Q07820 5/20 0.51
PGR P06401 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.47
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADAMTS4 O75173 1/20 0.44
MMP13 P45452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 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
SCHEMBL9045921 1.00 AR (0.64) AREDNRBEDNRABCL2L1MCL1
SCHEMBL9045571 0.86 EDNRA (0.78) AREDNRBEDNRABCL2L1MCL1
SCHEMBL9044594 0.86 EDNRA (0.78) AREDNRBEDNRABCL2L1MCL1
SCHEMBL9047067 0.85 EDNRB (0.59) EDNRBEDNRAPOLBMEN1KMT2A
SCHEMBL9677279 0.85 AR (0.55) ARBCL2L1MCL1PGRPTGES2
SCHEMBL9046291 0.83 EDNRA (0.60) EDNRBEDNRABCL2L1MCL1MEN1
SCHEMBL9052904 0.82 EDNRA (0.59) EDNRBEDNRAMEN1KMT2ARXFP1
SCHEMBL9047975 0.80 EDNRA (0.56) EDNRBEDNRAPOLBMEN1KMT2A
SCHEMBL9044255 0.79 ALDH1A1 (0.56) EDNRBEDNRAPOLBTDP1MEN1
SCHEMBL9045764 0.79 EDNRB (0.59) EDNRBEDNRAPOLBMEN1KMT2A

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