SCHEMBL7833285

SCHEMBL7833285

CC(O)(C(=O)Nc1ccc2c(c1)C(=O)c1cccnc1CO2)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 11/20 0.49
ABCC8 Q09428 11/20 0.49
KCNJ11 Q14654 11/20 0.49
KCNJ8 Q15842 11/20 0.49
MAPK14 Q16539 3/20 0.46
PDK1 Q15118 4/20 0.42
PDK2 Q15119 4/20 0.42
PDK3 Q15120 4/20 0.42
PDK4 Q16654 4/20 0.42
NSD2 O96028 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL7833166 0.85 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7821058 0.82 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7829442 0.81 PDK1 (0.43) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL5767979 0.80 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7830308 0.80 MAPK14 (0.53) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL5765103 0.79 ABCC9 (0.53) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829456 0.79 PDK1 (0.43) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7832786 0.79 PDK1 (0.41) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7832140 0.76 MAPK14 (0.56) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL5763615 0.76 PDK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8MAPK14

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
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed