SCHEMBL14414770

SCHEMBL14414770

CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2F)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.74
AGTR1 P30556 5/20 0.66
AGTR2 P50052 3/20 0.65
ACHE P22303 3/20 0.56
LTB4R2 Q9NPC1 3/20 0.56
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
HTR2B P41595 1/20 0.54
PDE3A Q14432 1/20 0.54
SLC10A1 Q14973 1/20 0.54

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
SCHEMBL4772943 0.93 EDNRA (0.79) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL14414624 0.92 EDNRA (0.75) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL5534075 0.86 AGTR1 (0.66) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL4773774 0.85 EDNRA (1.00) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6540813 0.85 EDNRA (0.80) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL25084430 0.84 AGTR1 (0.71) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL30844578 0.84 AGTR1 (0.71) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6539114 0.84 AGTR1 (0.80) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6540548 0.83 AGTR1 (0.81) EDNRAAGTR1AGTR2ACHELTB4R2
SCHEMBL6539684 0.83 EDNRA (0.89) EDNRAAGTR1AGTR2ACHELTB4R2

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-2007109456-A2 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2007-09-27 WO disclosed