SCHEMBL11623944

SCHEMBL11623944

CCNC(=O)Nc1c(C(F)(F)C(O)(F)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 20/20 0.59
ABCC9 O60706 7/20 0.59
ABCC8 Q09428 7/20 0.59
KCNJ8 Q15842 7/20 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
SCHEMBL11623939 0.90 KCNJ11 (0.73) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11627211 0.86 KCNJ11 (0.60) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11627766 0.81 KCNJ11 (0.42) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11627338 0.76 KCNJ11 (0.46) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11627210 0.76 KCNJ11 (0.75) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL11628632 0.75 NLRP3 (0.45) KCNJ11
SCHEMBL7117829 0.74 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL7118071 0.73 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL29405861 0.72 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL4260449 0.72 KCNJ11 (1.00) KCNJ11ABCC9ABCC8KCNJ8

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
US-4093742-A Anti-hypertensive polyhaloisopropyl-substituted arylureas SCHERING CORPORATION (US) 1978-06-06 US claimed