SCHEMBL13770697

SCHEMBL13770697

NC(=O)c1ccc2c(c1)-c1sc(C(=O)Nc3c(F)cccc3F)cc1CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.50
IL2 P60568 1/20 0.42
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK14 Q16539 4/20 0.41
LMNA P02545 2/20 0.39
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
DHPS P49366 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL12848580 0.85 NOTUM (0.44) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL13770540 0.84 KDM4E (0.53) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848725 0.83 KDM4E (0.46) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL13770532 0.83 IL2 (0.55) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL13770698 0.83 KDM4E (0.44) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848875 0.82 MAPT (0.48) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848723 0.82 MAPT (0.45) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848954 0.81 NOTUM (0.40) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848956 0.80 NOTUM (0.40) NOTUMIL2KDM4EALDH1A1MAPT
SCHEMBL12848880 0.79 IL2 (0.45) NOTUMIL2KDM4EALDH1A1MAPT

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-2009089305-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-07-16 WO disclosed