SCHEMBL9044490

SCHEMBL9044490

O=S(=O)(Nc1ncnc(Cl)c1Cc1ccccc1C(F)(F)F)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.45
EDNRB P24530 3/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TSHR P16473 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
CCR2 P41597 1/20 0.39
KDM1A O60341 1/20 0.38

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
SCHEMBL9046198 0.89 KMT2A (0.55) EDNRAEDNRBALDH1A1POLBFFAR4
SCHEMBL9044505 0.89 ALDH1A1 (0.44) EDNRAEDNRBALDH1A1POLBTSHR
SCHEMBL9045035 0.85 EDNRA (0.61) EDNRAEDNRBALDH1A1TSHRKMT2A
SCHEMBL9045459 0.82 ALDH1A1 (0.47) EDNRAEDNRBALDH1A1POLBTSHR
SCHEMBL9044456 0.79 EDNRA (0.61) EDNRAEDNRBKMT2AMEN1
SCHEMBL1748339 0.77 IDO1 (0.42) ALDH1A1KDM4ELMNA
SCHEMBL9046333 0.77 MAPT (0.45) EDNRAALDH1A1KMT2AMEN1RXFP1
SCHEMBL9045980 0.75 MEN1 (0.47) EDNRAEDNRBALDH1A1POLBTSHR
SCHEMBL9047760 0.75 EDNRA (0.42) EDNRAEDNRBALDH1A1POLBKMT2A
SCHEMBL9044533 0.74 EDNRA (0.40) EDNRAEDNRBALDH1A1POLBTSHR

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