SCHEMBL2298235

SCHEMBL2298235

FC(F)(F)c1cc(CCBr)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NOTUM Q6P988 2/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
XBP1 P17861 1/20 0.36
DAO P14920 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 2/20 0.35
HTT P42858 3/20 0.35
EPHX1 P07099 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.34
PDPK1 O15530 1/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL1639279 0.84 NOTUM (0.40) MAPTLMNASMN1; SMN2NOTUMMEN1
SCHEMBL30626572 0.84 NOTUM (0.40) MAPTLMNASMN1; SMN2NOTUMMEN1
SCHEMBL2298161 0.83 MAPT (0.42) MAPTLMNASMN1; SMN2NOTUMMEN1
SCHEMBL27427307 0.83 TAAR1 (0.50) MAPTLMNASMN1; SMN2TDP1GAA
SCHEMBL27789311 0.81 NR3C2 (0.46) NPSR1DAOEPHX1PTPN7DUSP3
SCHEMBL25090455 0.79 IDO1 (0.57) LMNANOTUMDAOIDO1
SCHEMBL30201341 0.79 IDO1 (0.57) LMNANOTUMDAOIDO1
SCHEMBL2089711 0.78 NOTUM (0.39) MAPTLMNASMN1; SMN2NOTUMMEN1
SCHEMBL2094824 0.78 KIF11 (0.47) MAPTLMNASMN1; SMN2NOTUMMEN1
SCHEMBL13429965 0.78 NOTUM (0.39) MAPTLMNASMN1; SMN2NOTUMMEN1

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
CN-102666541-B Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES, INC. (US) 2015-11-25 CN disclosed
CN-102666541-A Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES INC 2012-09-12 CN disclosed
WO-2011103063-A1 THERAPEUTIC COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-08-25 WO disclosed