SCHEMBL6972565

SCHEMBL6972565

COc1ccccc1Oc1c(Cl)nc(-c2cc[n+]([O-])cc2)nc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 18/20 0.47
EDNRB P24530 10/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DHPS P49366 2/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR1H3 Q13133 1/20 0.43
NR1I3 Q14994 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
SCHEMBL6969386 0.91 EDNRA (0.53) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6972208 0.88 DHPS (0.53) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6957003 0.88 EDNRA (0.47) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6972015 0.88 DHPS (0.53) EDNRAEDNRBDHPS
SCHEMBL7850046 0.86 EDNRA (0.59) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6960041 0.85 EDNRA (0.67) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6961198 0.85 EDNRA (0.47) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6959001 0.85 EDNRA (0.62) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL7445633 0.83 EDNRA (0.45) EDNRAEDNRBALDH1A1LMNATSHR
SCHEMBL5035301 0.82 EDNRA (0.66) EDNRAEDNRB

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
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP disclosed
US-6004965-A Sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-12-21 US disclosed