SCHEMBL13770532

SCHEMBL13770532

O=C(Nc1c(F)cccc1F)c1cc2c(s1)-c1cc(C(F)(F)F)ccc1CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 3/20 0.55
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
HPGD P15428 6/20 0.50
MAPT P10636 5/20 0.50
GAA P10253 4/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOTUM Q6P988 6/20 0.42
LMNA P02545 1/20 0.39
NPY5R Q15761 1/20 0.39
CXCR5 P32302 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
HCRTR1 O43613 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) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL12848725 0.83 KDM4E (0.46) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL13770698 0.83 KDM4E (0.44) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL13770697 0.83 NOTUM (0.50) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL12848723 0.82 MAPT (0.45) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL12848875 0.82 MAPT (0.48) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL12848954 0.81 NOTUM (0.40) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL13770540 0.81 KDM4E (0.53) IL2KDM4EALDH1A1HPGDMAPT
SCHEMBL12848481 0.79 MEN1 (0.42) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL12848820 0.79 KDM4E (0.40) KDM4EALDH1A1HPGDMAPTGAA

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