SCHEMBL5324233

SCHEMBL5324233

Cc1c(NS(=O)(=O)c2ccccc2Br)noc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.56
EDNRB P24530 6/20 0.53
BRD4 O60885 1/20 0.46
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL5529599 0.83 EDNRA (0.63) EDNRAEDNRBBRD4
SCHEMBL30171185 0.83 EDNRA (0.63) EDNRAEDNRBBRD4
SCHEMBL30296336 0.78 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL5321684 0.78 EDNRA (0.56) EDNRAEDNRBBRD4FBP1
SCHEMBL30844573 0.78 EDNRA (0.56) EDNRAEDNRBBRD4RXFP1FBP1
SCHEMBL5330400 0.78 EDNRA (0.56) EDNRAEDNRBBRD4RXFP1FBP1
SCHEMBL29280990 0.72 EDNRA (0.50) EDNRAEDNRBBRD4
SCHEMBL6640611 0.72 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7858770 0.70 EDNRA (0.76) EDNRAEDNRBBRD4
SCHEMBL4772910 0.69 EDNRA (0.59) EDNRAEDNRBBRD4FBP1

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