SCHEMBL7833294

SCHEMBL7833294

CC(O)(C(=O)Nc1ccc2c(c1)CCc1ccccc1C2=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ABCC9 O60706 5/20 0.55
ABCC8 Q09428 5/20 0.55
KCNJ11 Q14654 5/20 0.55
KCNJ8 Q15842 5/20 0.55
MAPK14 Q16539 10/20 0.54
PDK1 Q15118 3/20 0.53
PDK2 Q15119 3/20 0.53
PDK3 Q15120 3/20 0.53
PDK4 Q16654 3/20 0.53
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL7829732 0.93 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7830308 0.86 MAPK14 (0.53) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7832140 0.84 MAPK14 (0.56) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7833541 0.84 LCK (0.68) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL7832380 0.84 ABCC9 (0.67) NPC1RAB9AABCC9ABCC8KCNJ11
SCHEMBL7833676 0.83 MAPK14 (0.52) ABCC9ABCC8KCNJ11KCNJ8MAPK14
SCHEMBL7835470 0.83 PDK1 (0.46) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829638 0.83 PDK1 (0.48) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL5766413 0.82 ABCC9 (0.57) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7833845 0.82 PDK1 (0.47) 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 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