SCHEMBL4421491

SCHEMBL4421491

CCOCc1cc(CNc2cc(C)nc3ccnn23)ccc1-c1ccccc1S(=O)(=O)Nc1noc(C)c1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.47
AGTR1 P30556 2/20 0.47
KCNN3 Q9UGI6 3/20 0.37
EDNRB P24530 2/20 0.35
KAT7 O95251 2/20 0.35
KAT6A Q92794 2/20 0.35
KAT6B Q8WYB5 1/20 0.34
KAT5 Q92993 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
KCNN1 Q92952 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34

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
SCHEMBL4424315 0.93 EDNRA (0.55) EDNRAAGTR1KCNN3EDNRB
SCHEMBL13574912 0.92 EDNRA (0.41) EDNRAAGTR1KCNN3EDNRB
SCHEMBL13574911 0.85 EDNRA (0.40) EDNRAKCNN3EDNRBKCNN1KCNN2
SCHEMBL4423450 0.84 EDNRA (0.41) EDNRAAGTR1EDNRBKAT7KAT6A
SCHEMBL4563627 0.81 EDNRA (0.51) EDNRAAGTR1EDNRBKAT7KAT6A
SCHEMBL4424916 0.81 EDNRA (0.52) EDNRAAGTR1EDNRB
SCHEMBL4426251 0.80 EDNRA (0.40) EDNRAAGTR1KCNN3EDNRBKCNN1
SCHEMBL30295907 0.78 EDNRA (0.47) EDNRAAGTR1EDNRBKAT7KAT6A
SCHEMBL4563629 0.78 EDNRA (0.49) EDNRAAGTR1EDNRB
SCHEMBL4429112 0.78 EDNRA (0.43) EDNRAKCNN3EDNRBKCNN1KCNN2

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
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US claimed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed