SCHEMBL5049940

SCHEMBL5049940

Cc1sc(C(=O)O)nc1-c1nc(NC(=O)c2c(F)cccc2F)sc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 3/20 0.52
IL2 P60568 3/20 0.50
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RORB Q92753 2/20 0.43
MAPK14 Q16539 1/20 0.41
NTRK1 P04629 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PTGFR P43088 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
EPAS1 Q99814 1/20 0.39
AR P10275 1/20 0.38
HTT P42858 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
SCHEMBL5517951 0.90 KMT2A (0.59) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5530010 0.89 MEN1 (0.52) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5048908 0.83 KMT2A (0.54) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5049839 0.83 IL2 (0.59) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5049909 0.82 IL2 (0.58) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5051473 0.82 KMT2A (0.53) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5046929 0.81 IL2 (0.53) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5049029 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5052697 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1IL2GAA
SCHEMBL5048892 0.80 KMT2A (0.51) KMT2AMEN1ALDH1A1IL2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP disclosed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed