SCHEMBL8290774

SCHEMBL8290774

COc1ccc(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1OC

nearest known ligand 0.98

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.98
MEN1 O00255 3/20 0.98
RXFP1 Q9HBX9 1/20 0.75
FLT3 P36888 10/20 0.69
RECQL P46063 1/20 0.69
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK10 P53779 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
CASP6 P55212 1/20 0.58
MCL1 Q07820 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL8289432 0.99 KMT2A (1.00) KMT2AMEN1RXFP1FLT3RECQL
SCHEMBL15272661 0.86 MEN1 (0.77) KMT2AMEN1RXFP1FLT3RECQL
SCHEMBL5460296 0.86 FLT3 (0.80) KMT2AMEN1RXFP1FLT3L3MBTL1
SCHEMBL8289500 0.86 RXFP1 (1.00) KMT2AMEN1RXFP1FLT3L3MBTL1
SCHEMBL8290414 0.85 MEN1 (0.75) KMT2AMEN1RXFP1FLT3RECQL
SCHEMBL8288681 0.85 RXFP1 (0.98) KMT2AMEN1RXFP1FLT3L3MBTL1
SCHEMBL8289502 0.84 KMT2A (0.75) KMT2AMEN1RXFP1FLT3RECQL
SCHEMBL24425732 0.82 FLT3 (1.00) KMT2AMEN1FLT3RECQLMAPT
SCHEMBL8290405 0.82 FLT3 (1.00) KMT2AMEN1FLT3RECQLALDH1A1
SCHEMBL30148150 0.82 FLT3 (1.00) KMT2AMEN1FLT3RECQLMAPT

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