Sugi Predict

Sugi Predict / Compounds / SCHEMBL7994062

SCHEMBL7994062

SCHEMBL7994062

COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ccnc(CO)c2)nc1OCC1CCCO1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 0.72
▸ EDNRB P24530 12/20 0.72
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ NR1I2 O75469 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ DHPS P49366 1/20 0.59
▸ NR1H3 Q13133 1/20 0.59
▸ NR1I3 Q14994 1/20 0.59

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
SCHEMBL7993702 0.90 EDNRA (0.70) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7996794 0.88 EDNRA (0.80) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7990436 0.86 EDNRA (0.61) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7993837 0.86 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7979121 0.84 EDNRA (0.68) EDNRAEDNRB
SCHEMBL7978930 0.84 EDNRA (1.00) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7994045 0.84 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7448560 0.83 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7993553 0.81 DHPS (0.50) EDNRAEDNRBDHPS
SCHEMBL7993453 0.81 EDNRA (0.55) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001081338-A1 SUBSTITUTED SULFONYLAMINOPYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2001-11-01 — — WO disclosed