SCHEMBL365370

SCHEMBL365370

COC(=O)c1c2ccccc2n2cc(SC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR4A2 P43354 4/20 0.47
KMT2A Q03164 6/20 0.45
MEN1 O00255 3/20 0.45
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
MAPT P10636 2/20 0.40
IDO1 P14902 1/20 0.40
BRD4 O60885 1/20 0.40
F2 P00734 1/20 0.39

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
SCHEMBL365879 0.87 NR4A2 (0.45) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL365779 0.85 EGFR (0.43) KMT2AMEN1EGFRSRCKDM4E
SCHEMBL364742 0.84 LMNA (0.43) L3MBTL1NR4A2KMT2AMEN1EGFR
SCHEMBL367705 0.83 EGFR (0.48) NPC1NR4A2KMT2AMEN1EGFR
SCHEMBL364929 0.83 NR4A2 (0.41) L3MBTL1NR4A2KMT2AMEN1EGFR
SCHEMBL364927 0.82 SRC (0.51) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL364931 0.82 NR4A2 (0.50) NR4A2KMT2AMEN1EGFRSRC
SCHEMBL367114 0.81 ALDH1A1 (0.49) TDP1L3MBTL1KMT2AMEN1EGFR
SCHEMBL365565 0.81 KMT2A (0.52) TDP1L3MBTL1NR4A2KMT2AMEN1
SCHEMBL365369 0.80 MAPT (0.47) NPC1TDP1L3MBTL1KMT2AMEN1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed