SCHEMBL8288778

SCHEMBL8288778

COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.73
GRIN2C Q14957 2/20 0.70
RAB9A P51151 8/20 0.58
NPC1 O15118 5/20 0.58
ALDH1A1 P00352 12/20 0.56
MAPT P10636 10/20 0.56
HPGD P15428 7/20 0.56
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
NFKB1 P19838 1/20 0.56
CASP1 P29466 1/20 0.56
CASP7 P55210 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MAPK10 P53779 1/20 0.56
LMNA P02545 2/20 0.56

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
SCHEMBL6997928 0.87 GRIN2C (0.67) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7003164 0.87 FLT3 (0.70) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7002672 0.85 FLT3 (1.00) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7902809 0.83 GRIN2C (1.00) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7003277 0.82 FLT3 (0.69) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL6999456 0.82 GRIN2C (0.79) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL6998742 0.81 FLT3 (0.83) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL6996786 0.79 FLT3 (0.70) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7004549 0.78 FLT3 (0.68) FLT3GRIN2CRAB9ANPC1ALDH1A1
SCHEMBL7003132 0.77 ALDH1A1 (0.64) FLT3GRIN2CRAB9ANPC1ALDH1A1

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-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 WO disclosed