SCHEMBL13770540

SCHEMBL13770540

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
MAPT P10636 7/20 0.53
MAPK1 P28482 3/20 0.53
IL2 P60568 1/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
TP53 P04637 5/20 0.44
MAPK14 Q16539 1/20 0.41
HSD17B10 Q99714 2/20 0.40
NLRP3 Q96P20 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.38
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL13770697 0.84 NOTUM (0.50) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL12848875 0.82 MAPT (0.48) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL13770698 0.81 KDM4E (0.44) KDM4EMAPTMAPK1IL2ALDH1A1
SCHEMBL13770532 0.81 IL2 (0.55) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL12848580 0.80 NOTUM (0.44) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL12848725 0.79 KDM4E (0.46) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL12848723 0.78 MAPT (0.45) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL12848954 0.76 NOTUM (0.40) KDM4EMAPTIL2ALDH1A1HPGD
SCHEMBL5272704 0.76 IL2 (0.83) KDM4EMAPTMAPK1IL2ALDH1A1
SCHEMBL12848755 0.75 BTK (0.42) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2

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