SCHEMBL6957003

SCHEMBL6957003

COc1ccc(S(=O)(=O)Nc2nc(-c3cc[n+]([O-])cc3)nc(Cl)c2Oc2ccccc2OC)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.47
DHPS P49366 9/20 0.45
EDNRB P24530 5/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 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
TP53 P04637 1/20 0.43
MAPT P10636 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 0.93 EDNRA (0.53) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL6972208 0.91 DHPS (0.53) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL6972015 0.91 DHPS (0.53) EDNRADHPSEDNRB
SCHEMBL6961198 0.88 EDNRA (0.47) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL6959001 0.88 EDNRA (0.62) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL6961032 0.88 MAPT (0.44) EDNRADHPSEDNRBMEN1KMT2A
SCHEMBL6972565 0.88 EDNRA (0.47) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL6966569 0.88 DHPS (0.47) EDNRADHPSEDNRBMEN1MAPK1
SCHEMBL7441080 0.84 EDNRA (0.45) EDNRADHPSEDNRBCA12CA9
SCHEMBL6960620 0.84 EDNRA (0.69) EDNRADHPSEDNRBABCC3ABCC4

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