Sugi Predict

Sugi Predict / Compounds / SCHEMBL6962174

SCHEMBL6962174

SCHEMBL6962174

COc1ccccc1Oc1c(NS(=O)(=O)c2ccccc2C)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.63
▸ EDNRB P24530 16/20 0.63
▸ ABCC3 O15438 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ DHPS P49366 1/20 0.52
▸ NR1H3 Q13133 1/20 0.52
▸ NR1I3 Q14994 1/20 0.52

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
SCHEMBL6969934 0.95 EDNRA (0.63) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7082081 0.91 EDNRA (0.59) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6969968 0.91 EDNRA (0.67) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6960945 0.90 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6959738 0.90 EDNRA (0.67) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL6962806 0.90 EDNRA (0.62) EDNRAEDNRBABCC3ABCC4NR1I2
Clazosentan SCHEMBL1983603 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29581324 0.89 EDNRA (0.79) EDNRAEDNRB
Clazosentan SCHEMBL29379450 0.89 EDNRA (0.79) EDNRAEDNRB
SCHEMBL6962526 0.89 EDNRA (0.61) EDNRAEDNRBABCC3ABCC4NR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 — — EP claimed