SCHEMBL8288681

SCHEMBL8288681

COc1cccc(CC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c1

nearest known ligand 0.98

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.98
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
FLT3 P36888 7/20 0.70
TP53 P04637 6/20 0.62
MAPT P10636 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
THRB P10828 1/20 0.62
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAPK8 P45983 1/20 0.58

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
SCHEMBL8289500 0.99 RXFP1 (1.00) RXFP1MEN1KMT2AFLT3TP53
SCHEMBL5460296 0.88 FLT3 (0.80) RXFP1MEN1KMT2AFLT3TP53
SCHEMBL8289432 0.86 KMT2A (1.00) RXFP1MEN1KMT2AFLT3LMNA
SCHEMBL8289434 0.85 RXFP1 (0.75) RXFP1MEN1KMT2ATP53MAPT
SCHEMBL8290774 0.85 KMT2A (0.98) RXFP1MEN1KMT2AFLT3MAPT
SCHEMBL8289502 0.83 KMT2A (0.75) RXFP1MEN1KMT2AFLT3TP53
SCHEMBL5453222 0.83 FLT3 (1.00) RXFP1MEN1KMT2AFLT3TP53
SCHEMBL8290377 0.82 FLT3 (1.00) RXFP1MEN1KMT2AFLT3TP53
SCHEMBL5446246 0.81 FLT3 (0.73) RXFP1MEN1KMT2AFLT3MAPT
SCHEMBL8289809 0.80 FLT3 (0.96) RXFP1MEN1KMT2AFLT3TP53

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