SCHEMBL6517475

SCHEMBL6517475

O=C(Nc1ccccc1B(O)O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
KLK7 P49862 1/20 0.49
PDK1 Q15118 8/20 0.45
PDK2 Q15119 8/20 0.45
PDK3 Q15120 8/20 0.45
PDK4 Q16654 8/20 0.45
LIPE Q05469 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP14 Q460N5 1/20 0.43
SLC40A1 Q9NP59 1/20 0.42

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
SCHEMBL29955558 1.00 JAK2 (0.49) JAK2TP53MAPTHTTKLK7
SCHEMBL29469256 0.84 CETP (0.59) MAPTHTTPDK1PDK2PDK3
SCHEMBL383919 0.84 CETP (0.59) MAPTHTTPDK1PDK2PDK3
SCHEMBL145213 0.80 TP53 (0.48) JAK2TP53MAPTHTTKLK7
SCHEMBL914296 0.78 PDK1 (0.70) JAK2TP53MAPTHTTKLK7
SCHEMBL3600530 0.78 L3MBTL1 (0.59) JAK2TP53MAPTHTTKLK7
SCHEMBL3149525 0.77 RAB9A (0.45) LIPE
SCHEMBL29469169 0.77 ALDH1A1 (0.59) HTT
SCHEMBL56441 0.77 GAA (0.50) MAPTLIPE
SCHEMBL521100 0.77 ALDH1A1 (0.59) HTT

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-2005087765-A1 LIGANDS OF FOLLICLE STIMULATING HORMONE RECEPTOR AND METHODS OF USE THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed