SCHEMBL5765664

SCHEMBL5765664

CC(=O)Nc1ccc2c(c1)CS(=O)(=O)c1cccc(NC(=O)C(C)(O)C(F)(F)F)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.46
ABCC8 Q09428 3/20 0.46
KCNJ11 Q14654 3/20 0.46
KCNJ8 Q15842 3/20 0.46
PDK1 Q15118 14/20 0.42
PDK2 Q15119 14/20 0.42
PDK3 Q15120 14/20 0.42
PDK4 Q16654 14/20 0.42
MAOA P21397 3/20 0.41

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
SCHEMBL5766659 0.93 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766420 0.89 ABCC9 (0.43) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5764157 0.89 PDK1 (0.47) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766501 0.88 PDK1 (0.48) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5765963 0.88 PDK1 (0.44) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766421 0.86 PDK1 (0.48) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5765706 0.86 PDK1 (0.47) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5767321 0.82 PDK1 (0.44) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5767047 0.81 PDK1 (0.43) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766112 0.80 PDK1 (0.42) ABCC9ABCC8KCNJ11KCNJ8PDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 EP disclosed